SCHEMBL6174124

SCHEMBL6174124

CCNC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.58
EGFR P00533 7/20 0.48
ERBB4 Q15303 1/20 0.48
FECH P22830 1/20 0.47
CDK8 P49336 1/20 0.47
MAP2K5 Q13163 1/20 0.47
CDK19 Q9BWU1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL6177843 0.92 ERBB2 (0.56) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6175719 0.92 ERBB2 (0.57) ERBB2EGFRERBB4HDAC1HDAC6
SCHEMBL6171500 0.92 ERBB2 (0.63) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6174991 0.92 ERBB2 (0.60) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6174111 0.91 ERBB2 (0.66) ERBB2EGFRERBB4FECHCDK8
SCHEMBL4617460 0.91 ERBB2 (0.59) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6174833 0.91 ERBB2 (0.62) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6174409 0.90 ERBB2 (0.62) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6173293 0.90 ERBB2 (0.60) ERBB2EGFRERBB4FECHCDK8
SCHEMBL4618703 0.90 ERBB2 (0.62) ERBB2EGFRERBB4FECHCDK8

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-20030171386-A1 Small molecules for the treatment of abnormal cell growth PFIZER INC. 2003-09-11 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
EP-1465632-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2004-10-13 EP disclosed
US-20030171386-A1 Small molecules for the treatment of abnormal cell growth PFIZER INC. 2003-09-11 US disclosed
WO-2003049740-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2003-06-19 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-20030171386-A1 Small molecules for the treatment of abnormal cell growth ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885ERBB4 4/4885

“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.