SCHEMBL7018737

SCHEMBL7018737

COC(=O)c1ccc(C(C)n2c(=O)[nH]c3ccc(C(=O)NCc4ccc5nonc5c4)cc3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
B3GNT2 Q9NY97 1/20 0.41
MAPT P10636 4/20 0.40
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 4/20 0.38
ESR1 P03372 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
SCHEMBL6238807 0.92 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1B3GNT2
SCHEMBL6231298 0.86 RXFP1 (0.50) NPC1RAB9AB3GNT2MAPTKDM4E
SCHEMBL6218995 0.85 MEN1 (0.54) NPC1RAB9AB3GNT2MAPTCYP2C9
SCHEMBL6233923 0.85 NAMPT (0.46) NPC1RAB9AB3GNT2MAPTKDM4E
SCHEMBL6260663 0.84 ESR1 (0.56) NPC1MAPTKDM4EALDH1A1GAA
SCHEMBL7021536 0.84 B3GNT2 (0.45) NPC1RAB9AB3GNT2MAPTKDM4E
SCHEMBL6237603 0.83 MMP13 (0.50) MAPTCYP2C9ALDH1A1GAAMEN1
SCHEMBL7653596 0.82 TRPV1 (0.47) B3GNT2MAPTCYP2C9KDM4EALDH1A1
SCHEMBL7104616 0.80 NAMPT (0.46) NPC1RAB9AB3GNT2MAPTKDM4E
SCHEMBL6239501 0.78 MEN1 (0.56) NPC1RAB9AB3GNT2MAPTCYP2C9

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 ADORA3 532/4885ADORA2A 1982/4885ADORA2B 1393/4885

“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.