SCHEMBL7226668

SCHEMBL7226668

Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCCO1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.68
EPHA2 P29317 9/20 0.68
EGFR P00533 9/20 0.67
EPHB4 P54760 7/20 0.61
RET P07949 1/20 0.61
KIF5B P33176 1/20 0.61
FBP1 P09467 2/20 0.55
ERBB2 P04626 4/20 0.55
AURKA O14965 1/20 0.55
INSR P06213 1/20 0.55
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55
CLK1 P49759 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL7226666 1.00 KDR (0.68) KDREPHA2EGFREPHB4RET
SCHEMBL7221348 0.97 EGFR (0.70) KDREPHA2EGFREPHB4RET
SCHEMBL6998297 0.97 EGFR (0.70) KDREPHA2EGFREPHB4RET
SCHEMBL6992231 0.92 EGFR (0.61) KDREPHA2EGFREPHB4FBP1
SCHEMBL4359307 0.89 EPHA2 (0.85) KDREPHA2EGFREPHB4RET
SCHEMBL1191334 0.88 EGFR (0.70) KDREPHA2EGFREPHB4RET
SCHEMBL1191326 0.88 EGFR (0.70) KDREPHA2EGFREPHB4RET
SCHEMBL1191324 0.88 EGFR (0.70) KDREPHA2EGFREPHB4RET
SCHEMBL7221051 0.87 EPHA2 (0.70) KDREPHA2EGFREPHB4RET
SCHEMBL6989639 0.87 EPHA2 (0.70) KDREPHA2EGFREPHB4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 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 (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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 KDR 500/4885EPHA2 1142/4885EGFR 137/4885

“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.