SCHEMBL4797369

SCHEMBL4797369

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(C#CCN)cc34)cc2Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.51
ERBB2 P04626 6/20 0.50
ERBB3 P21860 2/20 0.47
ERBB4 Q15303 2/20 0.47
PIP4K2A P48426 1/20 0.47
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
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL215055 0.91 ERBB2 (0.58) EGFRERBB2ERBB3ERBB4FECH
SCHEMBL6476691 0.89 EGFR (0.51) EGFRERBB2ERBB3ERBB4PIP4K2A
SCHEMBL5077437 0.88 EGFR (0.51) EGFRERBB2ERBB3ERBB4
SCHEMBL6174810 0.88 EGFR (0.50) EGFRERBB2ERBB3ERBB4PIP4K2A
SCHEMBL4616858 0.88 EGFR (0.53) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6176231 0.88 ERBB2 (0.53) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4797355 0.87 EGFR (0.60) EGFRERBB2ERBB3ERBB4FECH
SCHEMBL6172970 0.87 ERBB2 (0.54) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174626 0.87 EGFR (0.54) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL5552562 0.87 EGFR (0.57) EGFRERBB2ERBB3ERBB4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US disclosed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP 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-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885ERBB3 2/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885ERBB3 2/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 EGFR 164/4885ERBB2 883/4885ERBB3 548/4885

“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.