SCHEMBL5077437

SCHEMBL5077437

NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.51
ERBB2 P04626 9/20 0.48
FLT1 P17948 1/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
ERBB3 P21860 4/20 0.47
ERBB4 Q15303 4/20 0.47
LCK P06239 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
SCHEMBL6175165 0.93 EGFR (0.55) EGFRERBB2FLT1EPHA2KDR
SCHEMBL6174356 0.92 EGFR (0.63) EGFRERBB2FLT1EPHA2KDR
SCHEMBL6486733 0.92 EGFR (0.51) EGFRERBB2FLT1EPHA2KDR
SCHEMBL5552562 0.90 EGFR (0.57) EGFRERBB2ERBB3ERBB4LCK
SCHEMBL5081054 0.90 ERBB2 (0.53) EGFRERBB2FLT1EPHA2KDR
SCHEMBL6175157 0.90 EGFR (0.53) EGFRERBB2FLT1EPHA2KDR
SCHEMBL6487993 0.89 EGFR (0.51) EGFRERBB2FLT1EPHA2KDR
SCHEMBL6176991 0.89 EGFR (0.51) EGFRERBB2FLT1EPHA2KDR
SCHEMBL4797369 0.88 EGFR (0.51) EGFRERBB2ERBB3ERBB4
SCHEMBL5077429 0.87 EGFR (0.58) EGFRERBB2FLT1EPHA2KDR

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-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 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 (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-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FLT1 42/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FLT1 129/4885

“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.