SCHEMBL14359121

SCHEMBL14359121

COc1cc(Br)cc2c(Cl)nc(-c3cccnc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ CYP11B1 P15538 4/20 0.46
▸ CYP11B2 P19099 4/20 0.46
▸ CYP19A1 P11511 3/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ S1PR1 P21453 2/20 0.44
▸ CYP17A1 P05093 2/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PDGFRB P09619 1/20 0.41

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
SCHEMBL14359116 0.86 NPC1 (0.47) ALDH1A1SMN1; SMN2NPC1CYP11B1CYP11B2
SCHEMBL2155189 0.84 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HPGDNPC1CYP11B1
SCHEMBL14359374 0.84 CYP1A2 (0.53) ALDH1A1SMN1; SMN2NPC1CYP11B1CYP11B2
SCHEMBL15966833 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDNPC1CYP11B1
SCHEMBL2155611 0.83 CHRNB2 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1CYP11B1
SCHEMBL16184099 0.83 NPC1 (0.54) ALDH1A1SMN1; SMN2HPGDNPC1CYP11B1
SCHEMBL16184045 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2NPC1CYP11B1CYP11B2
SCHEMBL16184061 0.78 MAPT (0.46) ALDH1A1SMN1; SMN2NPC1CYP11B1CYP11B2
SCHEMBL20782725 0.78 PDE10A (0.54) ALDH1A1SMN1; SMN2HPGDNPC1CYP11B1
Hydrochloric Acid SCHEMBL7287195 0.77 PDE10A (0.53) ALDH1A1SMN1; SMN2HPGDNPC1CYP11B1

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 ALDH1A1 1687/4885SMN1; SMN2 3987/4885HPGD 4227/4885

“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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