SCHEMBL5236860

SCHEMBL5236860

COc1cc2ncnc(Nc3cccc(Cl)c3)c2c([N+](=O)[O-])c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ FBP1 P09467 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GMNN O75496 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ RAF1 P04049 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ NFKB1 P19838 1/20 0.59

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) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL5280120 0.89 KDR (0.57) EGFRMAPTMAPK1FBP1SRC
SCHEMBL5237826 0.89 EGFR (0.55) EGFRALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5238394 0.88 EGFR (0.74) EGFRKDM4EMAPTMAPK1FBP1
SCHEMBL5238896 0.82 EGFR (0.65) EGFRKDM4EMAPTMAPK1FBP1
Hydrochloric Acid SCHEMBL1467734 0.81 KDR (0.60) EGFRRAF1LCKABCG2KDR
SCHEMBL27754788 0.81 ABCG2 (0.72) EGFRRAF1ABCG2
SCHEMBL1418243 0.80 EGFR (0.78) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL31079458 0.75 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1
Tyrphostin Ag-1478 SCHEMBL29350062 0.75 EGFR (1.00) EGFRKDM4EMAPTMAPK1FBP1

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 6 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
CN-1805964-A 1,3, 4-triaza-phenalene and 1,3,4, 6-tetraazaphenalene derivatives HOFFMANN LA ROCHE (CH) 2006-07-19 — — CN 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 1/4885KDM4E 2015/4885MAPT 3120/4885

“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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