SCHEMBL5237602

SCHEMBL5237602

C=CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.80
FBP1 P09467 2/20 0.80
KDR P35968 2/20 0.80
AURKA O14965 1/20 0.80
ERBB2 P04626 1/20 0.80
INSR P06213 1/20 0.80
PDGFRB P09619 1/20 0.80
FLT4 P35916 1/20 0.80
CLK1 P49759 1/20 0.80
EPHB4 P54760 1/20 0.80
TEK Q02763 1/20 0.80
AURKB Q96GD4 1/20 0.80

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
SCHEMBL14515609 0.92 EGFR (0.68) EGFRFBP1KDRAURKAERBB2
SCHEMBL30505605 0.90 EGFR (1.00) EGFRFBP1KDRAURKAERBB2
SCHEMBL2099106 0.90 EGFR (1.00) EGFRFBP1KDRAURKAERBB2
SCHEMBL5236221 0.89 KDR (0.78) EGFRFBP1KDRAURKAERBB2
Hydrochloric Acid SCHEMBL27887194 0.89 EGFR (0.98) EGFRFBP1KDRAURKAERBB2
SCHEMBL22336753 0.88 FBP1 (0.92) EGFRFBP1KDRAURKAERBB2
SCHEMBL30520472 0.87 EGFR (0.87) EGFRFBP1KDRAURKAERBB2
SCHEMBL13524614 0.87 EGFR (0.87) EGFRFBP1KDRAURKAERBB2
SCHEMBL14092460 0.86 EGFR (0.92) EGFRFBP1KDRAURKAERBB2
SCHEMBL14863005 0.86 EGFR (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680426-B1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
EP-1680426-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2004111055-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040254205-A1 Phenalene derivatives LUK KIN-CHUN (US) 2004-12-16 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-20040254205-A1 Phenalene derivatives EGFR, ERBB2, ERBB4 EGFR 1/4885FBP1 2646/4885KDR 504/4885

“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.