SCHEMBL18655499

SCHEMBL18655499

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.85
FBP1 P09467 2/20 0.84
KDR P35968 2/20 0.67
AURKA O14965 1/20 0.67
ERBB2 P04626 1/20 0.67
INSR P06213 1/20 0.67
PDGFRB P09619 1/20 0.67
FLT4 P35916 1/20 0.67
CLK1 P49759 1/20 0.67
EPHB4 P54760 1/20 0.67
TEK Q02763 1/20 0.67
AURKB Q96GD4 1/20 0.67

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
SCHEMBL22336746 0.89 EGFR (0.94) EGFRFBP1KDRAURKAERBB2
SCHEMBL22336753 0.88 FBP1 (0.92) EGFRFBP1KDRAURKAERBB2
SCHEMBL18402669 0.87 EGFR (0.89) EGFRFBP1KDRAURKAERBB2
SCHEMBL18631603 0.87 FBP1 (0.74) EGFRFBP1KDRAURKAERBB2
SCHEMBL13090455 0.86 FBP1 (0.74) EGFRFBP1KDRAURKAERBB2
SCHEMBL18660007 0.85 FBP1 (0.82) EGFRFBP1KDRAURKAERBB2
SCHEMBL13524614 0.85 EGFR (0.87) EGFRFBP1KDRAURKAERBB2
SCHEMBL30520472 0.85 EGFR (0.87) EGFRFBP1KDRAURKAERBB2
SCHEMBL22338174 0.85 EGFR (0.80) EGFRFBP1KDRAURKAERBB2
SCHEMBL18655505 0.85 FBP1 (0.85) EGFRFBP1KDRAURKAERBB2

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-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 EGFR 2/4885FBP1 4684/4885KDR 628/4885

“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.