SCHEMBL4962908

SCHEMBL4962908

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(/C=C/CNC(=O)CO)cc34)cc2CO)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.74
ERBB2 P04626 13/20 0.74
FECH P22830 1/20 0.74
CDK8 P49336 1/20 0.74
MAP2K5 Q13163 1/20 0.74
CDK19 Q9BWU1 1/20 0.74
MKNK2 Q9HBH9 1/20 0.74
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ERBB3 P21860 1/20 0.42
ERBB4 Q15303 1/20 0.42
KCNH2 Q12809 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL4962911 1.00 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4963504 0.94 ERBB2 (0.85) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4963510 0.94 ERBB2 (0.85) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6173414 0.92 ERBB2 (0.86) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6173407 0.92 ERBB2 (0.86) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175088 0.91 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175084 0.91 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6474655 0.87 ERBB2 (0.84) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6173402 0.87 ERBB2 (0.84) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174379 0.86 ERBB2 (0.86) EGFRERBB2FECHCDK8MAP2K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254204-A1 Bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2004-12-16 US claimed
EP-1896451-A2 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2008-03-12 EP disclosed
US-20070072885-A1 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2007-03-29 US disclosed
WO-2006129168-A2 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2006-12-07 WO disclosed
US-20040254204-A1 Bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2004-12-16 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 (2 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-20070072885-A1 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH UGT1A1, CCNA1, UGT1A3 EGFR 320/4885ERBB2 967/4885FECH 3177/4885
US-20040254204-A1 Bicyclic derivatives for the treatment of abnormal cell growth UGT1A1, UGT1A3, UGT2B17 EGFR 342/4885ERBB2 966/4885FECH 3351/4885

“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.