SCHEMBL14359333

SCHEMBL14359333

COc1ccc2nc(-c3cccnc3)nc(N3CCc4ccc([N+](=O)[O-])cc43)c2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.56
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PDE5A O76074 2/20 0.45
▸ ROCK1 Q13464 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL14358658 0.93 ABCG2 (0.56) ABCG2ALDH1A1GAAMAPTPDE5A
SCHEMBL16183297 0.86 MAPT (0.49) ABCG2ALDH1A1GAAMAPTPDE5A
SCHEMBL14358717 0.86 ABCG2 (0.55) ABCG2ALDH1A1GAAMAPTGBA1
SCHEMBL14726315 0.85 MAPT (0.49) ABCG2ALDH1A1GAAMAPTPDE5A
SCHEMBL16183302 0.85 MAPT (0.49) ABCG2ALDH1A1GAAMAPTPDE5A
SCHEMBL16186328 0.85 ABCG2 (0.48) ABCG2ALDH1A1GAAMAPTPDE5A
SCHEMBL16183385 0.84 MAPT (0.49) ABCG2ALDH1A1GAAMAPTGBA1
SCHEMBL14475150 0.83 ABCG2 (0.49) ABCG2ALDH1A1GAAMAPTGBA1
SCHEMBL16183980 0.82 KMT2A (0.48) ABCG2ALDH1A1GAAMAPTPDE5A
Hydrochloric Acid SCHEMBL16178190 0.82 ABCG2 (0.48) ABCG2ALDH1A1GAAMAPTGBA1

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
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
EP-2726485-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2014-05-07 — — EP disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885ALDH1A1 1687/4885GAA 406/4885

“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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