SCHEMBL6664883

SCHEMBL6664883

Nc1ccc(-n2ccc3cnccc32)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.49
CDK2 P24941 2/20 0.49
MAPT P10636 12/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TGFBR1 P36897 2/20 0.40
TGFBR2 P37173 1/20 0.40
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL6667117 0.76 FGFR1 (0.56) MAPTKDM4EPOLBHTTRAD52
SCHEMBL7375006 0.73 TDO2 (0.45) CDC7CDK2HSP90AA1TGFBR1TGFBR2
SCHEMBL7610161 0.73 CDC7 (0.49) CDC7CDK2MAPT
Water SCHEMBL7614694 0.72 CDC7 (0.48) CDC7CDK2MAPT
SCHEMBL1150401 0.72 FGFR1 (0.53) CDC7CDK2MAPTHSP90AA1TGFBR1
SCHEMBL22289612 0.68 CDC7 (0.59) CDC7CDK2MAPTPOLBCYP1A2
SCHEMBL6659082 0.67 CYP19A1 (0.47) CDC7CDK2MAPTTGFBR1MKNK2
SCHEMBL1149905 0.66 CYP19A1 (0.53) CDC7CDK2MAPTTGFBR1MKNK2
SCHEMBL4309645 0.66 CYP11B1 (0.46) CDC7CDK2MAPTHSP90AA1
SCHEMBL29773805 0.66 MAPT (0.62) CDC7CDK2MAPT

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-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
EP-1438048-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-21 EP disclosed
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-28 US disclosed
WO-2003032989-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-24 WO 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-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds NFKBIA, MPO, RELA CDC7 3175/4885CDK2 213/4885MAPT 2231/4885

“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.