SCHEMBL18631603

SCHEMBL18631603

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NCCNC

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.74
EGFR P00533 19/20 0.70
ERBB2 P04626 3/20 0.62
AURKA O14965 1/20 0.62
INSR P06213 1/20 0.62
PDGFRB P09619 1/20 0.62
FLT4 P35916 1/20 0.62
KDR P35968 1/20 0.62
CLK1 P49759 1/20 0.62
EPHB4 P54760 1/20 0.62
TEK Q02763 1/20 0.62
AURKB Q96GD4 1/20 0.62
ERBB4 Q15303 1/20 0.60

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
SCHEMBL18660007 0.89 FBP1 (0.82) FBP1EGFRERBB2AURKAINSR
SCHEMBL18655499 0.87 EGFR (0.85) FBP1EGFRERBB2AURKAINSR
SCHEMBL18631601 0.85 EGFR (0.64) FBP1EGFRERBB2AURKAINSR
SCHEMBL18632967 0.84 FBP1 (0.76) FBP1EGFRERBB2AURKAINSR
SCHEMBL18660065 0.84 EGFR (0.85) FBP1EGFRERBB2ERBB4
SCHEMBL18631593 0.83 EGFR (0.76) FBP1EGFRERBB2AURKAINSR
SCHEMBL18655505 0.83 FBP1 (0.85) FBP1EGFRERBB2AURKAINSR
SCHEMBL25859436 0.82 EGFR (0.90) FBP1EGFRERBB2ERBB4
SCHEMBL22336753 0.82 FBP1 (0.92) FBP1EGFRERBB2AURKAINSR
SCHEMBL3238953 0.82 FBP1 (0.84) FBP1EGFRERBB2AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105240-B1 FUNCTIONALIZED TYROSINE KINASE INHIBITORS MODIFIED WITH PRECIOUS METAL ELECTROPHILES AND METHODS ASSOCIATED THEREWITH UNIV WAKE FOREST (US) 2018-10-17 EP disclosed
US-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith WAKE FOREST UNIVERSITY 2017-03-23 US disclosed
US-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith WAKE FOREST UNIVERSITY 2017-03-23 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-20170081293-A1 Functionalized Tyrosine Kinase Inhibitors Modified with Precious Metal Electrophiles and Methods Associated Therewith ABL1, EGFR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FBP1 4684/4885EGFR 2/4885ERBB2 4/4885

“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.