SCHEMBL610591

SCHEMBL610591

OC(c1ccc(Br)cc1F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.40
DGAT1 O75907 1/20 0.39
APLNR P35414 4/20 0.39
ABHD6 Q9BV23 4/20 0.35
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
NPC1 O15118 3/20 0.32
LMNA P02545 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK2 Q15119 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19839324 1.00 PDE2A (0.40) PDE2ADGAT1APLNRABHD6KDM1A
SCHEMBL29395891 1.00 PDE2A (0.40) PDE2ADGAT1APLNRABHD6KDM1A
SCHEMBL24633625 0.85 DGAT1 (0.35) PDE2ADGAT1ABHD6KDM1AKDM1B
SCHEMBL2961939 0.85 DGAT1 (0.35) PDE2ADGAT1ABHD6KDM1AKDM1B
SCHEMBL23094690 0.81 ALOX15 (0.39) ABHD6LMNAHPGDCES2PDK2
SCHEMBL1272994 0.80 CES2 (0.49) PDE2AALDH1A1CES2CES1
SCHEMBL16102791 0.79 ABHD6 (0.34) PDE2AABHD6ALDH1A1PDK2
SCHEMBL22836956 0.79 KDM4E (0.35) DGAT1ABHD6KDM1AALDH1A1KMT2A
SCHEMBL22852420 0.79 KDM4E (0.35) DGAT1ABHD6KDM1AALDH1A1KMT2A
SCHEMBL16567869 0.79 ABHD6 (0.34) PDE2AABHD6ALDH1A1PDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12558357-B2 Tetrahydroquinazoline derivatives as selective cytotoxic agents MERCK SHARP & DOHME LLC (US) 2026-02-24 US disclosed
US-12492183-B2 Tetrahydroquinazoline derivatives as selective cytotoxic agents MERCK SHARP & DOHME LLC (US) 2025-12-09 US disclosed
WO-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 WO disclosed
WO-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 WO disclosed
US-20240409531-A1 BENZOXAZINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2024-12-12 US disclosed
EP-4204413-B1 DIHYDROQUINAZOLIN-2-ONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS USEFUL IN THE TREATMENT OF HIV MERCK SHARP & DOHME LLC (US) 2024-09-25 EP disclosed
US-20240043402-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2024-02-08 US disclosed
US-20230357204-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2023-11-09 US disclosed
EP-4259608-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS Merck Sharp & Dohme LLC (US) 2023-10-18 EP disclosed
CN-116745269-A Dihydroquinazolin-2-one derivatives as selective cytotoxic agents for the treatment of HIV 默沙东有限责任公司 2023-09-12 CN disclosed
EP-2178536-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN Lexicon Pharmaceuticals, Inc. (US) 2010-04-28 EP disclosed
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TERSERA THERAPEUTICS LLC 2009-11-19 US disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 WO disclosed
EP-2091940-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TERSERA THERAPEUTICS LLC 2008-06-26 US disclosed
WO-2008073933-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12492183-B2 Tetrahydroquinazoline derivatives as selective cytotoxic agents ACIN1, CD4, NFATC1 PDE2A 3120/4885DGAT1 3839/4885APLNR 4002/4885
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TPH1, TPH2, PAH PDE2A 1583/4885DGAT1 2202/4885APLNR 1584/4885
US-20240409531-A1 BENZOXAZINONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS NFATC1, ACIN1, GZMB PDE2A 2810/4885DGAT1 4353/4885APLNR 3963/4885
US-20230357204-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS ACIN1, REV1, NFATC1 PDE2A 3017/4885DGAT1 3822/4885APLNR 4108/4885
US-12558357-B2 Tetrahydroquinazoline derivatives as selective cytotoxic agents ACIN1, CD4, CCR8 PDE2A 4300/4885DGAT1 3026/4885APLNR 4477/4885
US-20240043402-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS ACIN1, CD4, NFATC1 PDE2A 3120/4885DGAT1 3839/4885APLNR 4002/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA PDE2A 1264/4885DGAT1 1987/4885APLNR 2052/4885
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 PDE2A 2163/4885DGAT1 385/4885APLNR 747/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT PDE2A 224/4885DGAT1 1294/4885APLNR 1093/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.