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SCHEMBL3216362

SCHEMBL3216362

CC(O)N(CO)c1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ MAPK13 O15264 2/20 0.34
▸ MAPK12 P53778 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ CXCR3 P49682 3/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ TSPO P30536 5/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NR1I3 Q14994 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
SCHEMBL3216354 0.90 CNR1 (0.37) CNR1CNR2GPBAR1MAT2AMAPK13
SCHEMBL3230746 0.88 TRPV1 (0.39) MAT2ACXCR3
SCHEMBL3233652 0.88 CXCR3 (0.32) CXCR3MEN1KMT2A
SCHEMBL3233228 0.88 CXCR3 (0.36) MAT2ACXCR3MEN1KMT2ACYP3A4
SCHEMBL3229360 0.86 CXCR3 (0.36) CNR1CNR2GPBAR1CXCR3MEN1
SCHEMBL3228088 0.86 PPARG (0.34) MAT2ACXCR3
SCHEMBL3221968 0.85 TRPA1 (0.37) MAT2ACXCR3MEN1KMT2ACYP3A4
SCHEMBL3226952 0.81 CXCR3 (0.37) CXCR3MEN1KMT2ACYP3A4CYP2C9
SCHEMBL3233029 0.80 TDP1 (0.39) CXCR3DGAT2NPSR1
SCHEMBL3224078 0.80 PTGS2 (0.35) CXCR3

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 CNR1 135/4885CNR2 74/4885GPBAR1 2330/4885
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 CNR1 325/4885CNR2 292/4885GPBAR1 2327/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 CNR1 1314/4885CNR2 1416/4885GPBAR1 1344/4885

“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.