SCHEMBL162605

SCHEMBL162605

O=C=Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DAO P14920 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL29648890 1.00 PDE2A (0.41) PDE2ATDP1MAPK1MEN1KMT2A
SCHEMBL11872782 0.88 TDP1 (0.38) PDE2ATDP1MAPK1ALDH1A1TSHR
SCHEMBL30534235 0.86 MEN1 (0.46) PDE2ATDP1MAPK1MEN1KMT2A
SCHEMBL58769 0.86 MEN1 (0.46) PDE2ATDP1MAPK1MEN1KMT2A
SCHEMBL8746808 0.84 TSHR (0.50) TDP1MAPK1ALDH1A1TSHRCYP3A4
SCHEMBL11872628 0.84 TDP1 (0.40) TDP1MAPK1ALDH1A1TSHRCYP3A4
SCHEMBL7121468 0.82 PDE2A (0.41) PDE2AMEN1KMT2ALMNAALDH1A1
SCHEMBL3960923 0.82 TDP1 (0.39) PDE2ATDP1MAPK1ALDH1A1TSHR
SCHEMBL2278837 0.80 PDE2A (0.39) PDE2ATDP1MEN1KMT2AALDH1A1
SCHEMBL31135862 0.80 CES2 (0.46) PDE2ATDP1ALDH1A1DAOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116254736-A Pavement maintenance seal layer resistant to high Wen Naizi external aging and preparation method thereof 长安大学 2023-06-13 CN claimed
CN-108912599-B Filter film obtained by compounding nitrile rubber and phenolic resin 长春峰泰汽车胶业有限公司 2020-12-25 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-09-07 US disclosed
CN-116254736-A Pavement maintenance seal layer resistant to high Wen Naizi external aging and preparation method thereof 长安大学 2023-06-13 CN disclosed
WO-2002046169-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO disclosed
EP-0638561-B1 Process for the production of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5530135-A REACTING ISOCYANATE COMPOUND WITH SODIUM AZIDE IN PRESENCE OF ALUMINUM CHLORIDE, FOLLOWED BY ADDITION OF WATER AND MINERAL ACID NIHON BAYER AGROCHEM K.K. (JP) 1996-06-25 US disclosed
EP-0638561-A1 Process for the production of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-02-15 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed
EP-0012435-A2 Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP disclosed
US-4174398-A Combating fungi with 1-alkyl-1-(1,3,4-thiadiazol-2-yl)-3-phenyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed
US-3961061-A INSECTICIDES, FUNGICIDES, BACTERICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (1 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-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C PDE2A 93/4885TDP1 2316/4885MAPK1 3379/4885

“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.