SCHEMBL13529196

SCHEMBL13529196

CCCCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.98
KDR P35968 2/20 0.82
ERBB2 P04626 2/20 0.82
AURKA O14965 1/20 0.82
INSR P06213 1/20 0.82
FBP1 P09467 1/20 0.82
PDGFRB P09619 1/20 0.82
FLT4 P35916 1/20 0.82
CLK1 P49759 1/20 0.82
EPHB4 P54760 1/20 0.82
TEK Q02763 1/20 0.82
AURKB Q96GD4 1/20 0.82
HDAC3 O15379 1/20 0.77
HDAC4 P56524 1/20 0.77
HDAC1 Q13547 1/20 0.77
HDAC7 Q8WUI4 1/20 0.77
HDAC2 Q92769 1/20 0.77
HDAC10 Q969S8 1/20 0.77
HDAC11 Q96DB2 1/20 0.77
HDAC8 Q9BY41 1/20 0.77

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
SCHEMBL14092460 0.97 EGFR (0.92) EGFRKDRERBB2AURKAINSR
SCHEMBL30520472 0.94 EGFR (0.87) EGFRKDRERBB2AURKAINSR
SCHEMBL13524614 0.94 EGFR (0.87) EGFRKDRERBB2AURKAINSR
SCHEMBL30207668 0.93 EGFR (0.85) EGFRKDRERBB2AURKAINSR
SCHEMBL28520911 0.93 EGFR (0.85) EGFRKDRERBB2AURKAINSR
SCHEMBL31491085 0.93 EGFR (0.85) EGFRKDRERBB2AURKAINSR
SCHEMBL14964773 0.93 EGFR (0.85) EGFRKDRERBB2AURKAINSR
SCHEMBL18978997 0.92 EGFR (0.89) EGFRKDRERBB2AURKAINSR
SCHEMBL31213839 0.92 EGFR (0.84) EGFRKDRERBB2AURKAINSR
SCHEMBL5911655 0.92 EGFR (0.86) EGFRKDRERBB2AURKAINSR

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN EGFR 493/4885KDR 1628/4885ERBB2 861/4885

“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.