SCHEMBL7226004

SCHEMBL7226004

CCOC(=O)CN(CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCCO1)CC(C)(C)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.55
EPHA2 P29317 4/20 0.55
EGFR P00533 11/20 0.53
EPHB4 P54760 3/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
FBP1 P09467 1/20 0.49
ERBB2 P04626 1/20 0.48

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
SCHEMBL6993114 1.00 KDR (0.55) KDREPHA2EGFREPHB4HDAC3
SCHEMBL7227388 1.00 KDR (0.55) KDREPHA2EGFREPHB4HDAC3
SCHEMBL7227393 1.00 KDR (0.55) KDREPHA2EGFREPHB4HDAC3
SCHEMBL7224748 0.88 EGFR (0.56) KDREPHA2EGFREPHB4HDAC3
SCHEMBL1386469 0.88 EGFR (0.56) KDREPHA2EGFREPHB4HDAC3
SCHEMBL7224798 0.87 EGFR (0.70) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL7227412 0.87 EGFR (0.60) EGFRRETERBB2
SCHEMBL7227407 0.87 EGFR (0.60) EGFRRETERBB2
SCHEMBL7226007 0.87 EGFR (0.60) EGFRRETERBB2
SCHEMBL7226011 0.87 EGFR (0.60) EGFRRETERBB2

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.