SCHEMBL2090318

SCHEMBL2090318

CCCC(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.49
CYP3A4 P08684 8/20 0.43
CYP2C19 P33261 7/20 0.41
CYP2C9 P11712 6/20 0.41
CYP1A2 P05177 4/20 0.41
TSHR P16473 4/20 0.41
CYP2D6 P10635 3/20 0.41
TP53 P04637 2/20 0.41
SLC6A4 P31645 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL20789414 0.89 PDE2A (0.46) PDE2ACYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL16442485 0.89 PDE2A (0.46) PDE2ACYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL6002598 0.89 PDE2A (0.46) PDE2ACYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL24394438 0.87 PDE2A (0.45) PDE2ACYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL23312301 0.86 RIPK1 (0.40) PDE2ACYP3A4CYP2C19CYP2C9CYP1A2
SCHEMBL435755 0.83 PDE2A (0.52) PDE2ACYP2C9TSHRTP53CA1
SCHEMBL13622230 0.83 PDE2A (0.52) PDE2ACYP2C9TSHRTP53CA1
SCHEMBL28347282 0.83 PDE2A (0.52) PDE2ACYP2C9TSHRTP53CA1
SCHEMBL9746668 0.82 RIPK1 (0.43) RIPK1
SCHEMBL11562565 0.82 PDE2A (0.43) PDE2ACA1CA2ALDH1A1CES2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230203099-A1 CYCLOPHILIN INHIBITORS AND USES THEREOF FARSIGHT MEDICAL TECHNOLOGY (SHANGHAI) CO., LTD. (CN) 2023-06-29 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-09-08 US disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-27 US disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 US disclosed
US-9901592-B2 Methods for treating resistant diseases using triazole containing macrolides CEMPRA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
US-9796733-B2 Imidazo-pyrazine derivatives useful as soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1689715-B1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2011-02-09 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US 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 (11 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-20170107236-A1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE2A, PDE3A, PDE5A PDE2A 1/4885CYP3A4 1772/4885CYP2C19 528/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 PDE2A 438/4885CYP3A4 2344/4885CYP2C19 699/4885
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION CUL1, CUL2, NEDD8 PDE2A 1629/4885CYP3A4 4493/4885CYP2C19 4143/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 PDE2A 438/4885CYP3A4 2344/4885CYP2C19 699/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PDE2A 3649/4885CYP3A4 1734/4885CYP2C19 1894/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS PDE2A 4353/4885CYP3A4 2815/4885CYP2C19 3666/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 PDE2A 4199/4885CYP3A4 431/4885CYP2C19 2214/4885
US-20230203099-A1 CYCLOPHILIN INHIBITORS AND USES THEREOF PPIH, PPIF, PPIG PDE2A 386/4885CYP3A4 1939/4885CYP2C19 2078/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 PDE2A 3619/4885CYP3A4 1684/4885CYP2C19 2879/4885
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SCN11A, SCN8A, NHERF1 PDE2A 822/4885CYP3A4 798/4885CYP2C19 1350/4885
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF SLC5A11, SLC6A11, SLC5A1 PDE2A 686/4885CYP3A4 66/4885CYP2C19 147/4885

“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.