SCHEMBL5236054

SCHEMBL5236054

COc1cc2ncnc(Nc3ccc(Cl)cc3)c2c(N)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.62
▸ FLT1 P17948 1/20 0.62
▸ EGFR P00533 17/20 0.54
▸ SRC P12931 3/20 0.49
▸ GAK O14976 2/20 0.49
▸ PDGFRB P09619 2/20 0.48
▸ FBP1 P09467 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ EPHB4 P54760 1/20 0.48
▸ TEK Q02763 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ LCK P06239 5/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL27775619 0.89 KDR (0.67) KDRFLT1EGFRSRCGAK
SCHEMBL5242378 0.88 EGFR (0.61) KDREGFRSRCGAKPDGFRB
SCHEMBL5238896 0.87 EGFR (0.65) KDREGFRSRCPDGFRBFBP1
SCHEMBL20546988 0.83 EGFR (0.67) KDRFLT1EGFRSRCGAK
SCHEMBL30353898 0.83 EGFR (0.67) KDRFLT1EGFRSRCGAK
SCHEMBL8871386 0.81 EGFR (0.64) KDRFLT1EGFRSRCGAK
SCHEMBL5280120 0.81 KDR (0.57) KDRFLT1EGFRSRCGAK
SCHEMBL5236843 0.81 EGFR (0.81) KDREGFRSRCGAKFBP1
SCHEMBL5239477 0.80 KDR (0.56) KDRFLT1EGFRSRCGAK
SCHEMBL5740361 0.80 KDR (0.58) KDRFLT1EGFRSRCGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100378101-C 1.3.4-triaza-phenalene and 1,3,4,6-tetraazaphenalene derivatives HOFFMANN LA ROCHE (CH) 2008-04-02 — — CN disclosed
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
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 — — US 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
CN-1805964-A 1,3, 4-triaza-phenalene and 1,3,4, 6-tetraazaphenalene derivatives HOFFMANN LA ROCHE (CH) 2006-07-19 — — CN 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 KDR 504/4885FLT1 209/4885EGFR 1/4885

“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.

Send feedback