SCHEMBL5237826

SCHEMBL5237826

COc1cc2ncnc(Nc3ccccc3)c2c([N+](=O)[O-])c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.55
▸ KDR P35968 2/20 0.55
▸ RET P07949 1/20 0.55
▸ LCK P06239 2/20 0.54
▸ ABCG2 Q9UNQ0 3/20 0.54
▸ RIPK2 O43353 1/20 0.47
▸ EPHB2 P29323 1/20 0.47
▸ GAK O14976 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PDGFRB P09619 1/20 0.46

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
SCHEMBL8871294 0.89 EGFR (0.58) EGFRKDRRETABCG2EPHB2
SCHEMBL5280120 0.89 KDR (0.57) EGFRKDRLCKABCG2GAK
SCHEMBL5236860 0.89 EGFR (0.59) EGFRKDRLCKABCG2SRC
SCHEMBL5238394 0.89 EGFR (0.74) EGFRKDRABCG2EPHB2GAK
Hydrochloric Acid SCHEMBL1467734 0.83 KDR (0.60) EGFRKDRRETLCKABCG2
SCHEMBL28038543 0.83 EGFR (0.76) EGFRKDRRETLCKRIPK2
SCHEMBL27775622 0.81 ABCG2 (0.70) EGFRKDRLCKABCG2GAK
SCHEMBL27754788 0.81 ABCG2 (0.72) EGFRABCG2
SCHEMBL5242378 0.80 EGFR (0.61) EGFRKDRRETLCKRIPK2
SCHEMBL19885300 0.77 EGFR (0.78) EGFRKDRRETLCKABCG2

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 8 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
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 EGFR 1/4885KDR 504/4885RET 10/4885

“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