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SCHEMBL3221968

SCHEMBL3221968

CC(O)N(CO)c1nc(-c2cccc(Cl)c2)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PPARG P37231 3/20 0.34
▸ CASR P41180 2/20 0.34
▸ CYP2C19 P33261 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ MDM2 Q00987 4/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ USP2 O75604 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL5257112 0.90 CXCR3 (0.34) TRPA1CYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL3229360 0.90 CXCR3 (0.36) CYP1A2CYP3A4ALDH1A1HSD17B10PPARG
SCHEMBL3221957 0.89 CYP1A2 (0.39) TRPA1CYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL3224078 0.89 PTGS2 (0.35) PPARGCXCR3PTGS2
SCHEMBL3233029 0.89 TDP1 (0.39) KDM4EPPARGSMN1; SMN2CXCR3PTGS2
SCHEMBL3216362 0.85 CNR1 (0.38) CYP3A4CYP2C9TSHRALDH1A1CXCR3
SCHEMBL3228088 0.84 PPARG (0.34) PPARGCXCR3MAT2A
SCHEMBL3226952 0.83 CXCR3 (0.37) CYP1A2CYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL4299971 0.82 PTGS2 (0.30) PTGS2
SCHEMBL4218268 0.81 IDH2 (0.40) TRPA1CYP1A2CYP3A4CYP2C9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 — — US disclosed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 — — US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 — — US disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 — — 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 (3 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 TRPA1 2617/4885CYP1A2 104/4885CYP3A4 198/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 TRPA1 2722/4885CYP1A2 64/4885CYP3A4 113/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 TRPA1 2723/4885CYP1A2 4812/4885CYP3A4 4784/4885

“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.