SCHEMBL14475168

SCHEMBL14475168

Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIP5K1C O60331 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ CYP2A6 P11509 1/20 0.47
▸ CYP1A2 P05177 6/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ CLK4 Q9HAZ1 6/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL14475037 0.88 MEN1 (0.59) PIK3CAPIK3CDPIP5K1CPI4KAPI4KB
SCHEMBL14475050 0.87 CYP1A2 (0.54) PIK3CAPIK3CDPIP5K1CPI4KAPI4KB
SCHEMBL14475029 0.87 PDE5A (0.51) PIK3CAPIK3CDPIP5K1CPI4KAPI4KB
SCHEMBL14475072 0.86 MAP4K4 (0.53) PIK3CAPIK3CDPIP5K1CPI4KAPI4KB
SCHEMBL14474998 0.86 ABCG2 (0.55) PIK3CAPIK3CDPIP5K1CPI4KAPI4KB
SCHEMBL18023076 0.85 POLB (0.49) PIK3CAPIK3CDPIP5K1CPI4KAPI4KB
SCHEMBL14474980 0.84 ABCG2 (0.62) CYP1A2CYP3A4CLK4CYP2D6CYP2C9
SCHEMBL14475003 0.84 CYP11B2 (0.56) ADORA2AADORA1CYP1A2CYP3A4CLK4
SCHEMBL14475063 0.83 RAB9A (0.55) ADORA2AADORA1CYP1A2CYP3A4CLK4
SCHEMBL14727837 0.83 ABCG2 (0.56) ADORA2AADORA1CYP1A2CYP3A4CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 — — EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — 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
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US 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 (4 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PIK3CA 1211/4885PIK3CD 728/4885PIP5K1C 577/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PIK3CA 1402/4885PIK3CD 764/4885PIP5K1C 914/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PIK3CA 1211/4885PIK3CD 728/4885PIP5K1C 577/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PIK3CA 2052/4885PIK3CD 1559/4885PIP5K1C 623/4885

“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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