SCHEMBL3238953

SCHEMBL3238953

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.84
▸ EGFR P00533 18/20 0.71
▸ ERBB2 P04626 2/20 0.69
▸ AURKA O14965 1/20 0.69
▸ INSR P06213 1/20 0.69
▸ PDGFRB P09619 1/20 0.69
▸ FLT4 P35916 1/20 0.69
▸ KDR P35968 1/20 0.69
▸ CLK1 P49759 1/20 0.69
▸ EPHB4 P54760 1/20 0.69
▸ TEK Q02763 1/20 0.69
▸ AURKB Q96GD4 1/20 0.69
▸ ERBB4 Q15303 1/20 0.63
▸ RAF1 P04049 1/20 0.62
▸ BRAF P15056 1/20 0.62

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
SCHEMBL8383 0.89 EGFR (0.83) FBP1EGFRERBB2AURKAINSR
SCHEMBL30124192 0.89 EGFR (0.83) FBP1EGFRERBB2AURKAINSR
SCHEMBL29679736 0.89 EGFR (0.83) FBP1EGFRERBB2AURKAINSR
SCHEMBL18655505 0.88 FBP1 (0.85) FBP1EGFRERBB2AURKAINSR
Hydrochloric Acid SCHEMBL28040041 0.88 EGFR (0.81) FBP1EGFRERBB2AURKAINSR
SCHEMBL30912752 0.87 FBP1 (0.84) FBP1EGFRERBB2AURKAINSR
Hydrochloric Acid SCHEMBL27915151 0.87 EGFR (0.80) FBP1EGFRERBB2AURKAINSR
SCHEMBL26637 0.87 FBP1 (0.84) FBP1EGFRERBB2AURKAINSR
SCHEMBL22336753 0.87 FBP1 (0.92) FBP1EGFRERBB2AURKAINSR
SCHEMBL13006609 0.86 EGFR (0.71) 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 7 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
EP-1369418-B1 QUINAZOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2010-07-28 — — EP disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 — — US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 — — US disclosed
US-20040116422-A1 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2004-06-17 — — US disclosed
EP-1369418-A1 QUINAZOLINE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2003-12-10 — — EP 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 (2 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
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 FBP1 2609/4885EGFR 1535/4885ERBB2 817/4885

“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.

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