SCHEMBL14475029

SCHEMBL14475029

Nc1nc(-c2cccnc2)nc2ccc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.51
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ PIK3CD O00329 1/20 0.44
▸ PIP5K1C O60331 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ F12 P00748 1/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43

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
SCHEMBL14475072 0.91 MAP4K4 (0.53) PDE5AADORA2AADORA1PIK3CDPIP5K1C
SCHEMBL14475050 0.87 CYP1A2 (0.54) PDE5AADORA2AADORA1PIK3CDPIP5K1C
SCHEMBL14475168 0.87 PIK3CA (0.49) PDE5AADORA2AADORA1PIK3CDPIP5K1C
SCHEMBL14475037 0.86 MEN1 (0.59) ADORA2AADORA1PIK3CDPIP5K1CPIK3CA
SCHEMBL14475003 0.84 CYP11B2 (0.56) ADORA2AADORA1ABCG2CLK4CYP1A2
SCHEMBL14474980 0.84 ABCG2 (0.62) MAPTF12ABCG2CLK4CYP1A2
SCHEMBL14727529 0.84 SMN1; SMN2 (0.49) PDE5AADORA2AADORA1MAPTCLK4
SCHEMBL14474998 0.84 ABCG2 (0.55) PDE5AADORA2AADORA1PIK3CDPIP5K1C
SCHEMBL14475063 0.83 RAB9A (0.55) ADORA2AADORA1MAPTABCG2CLK4
SCHEMBL18023076 0.82 POLB (0.49) PDE5AADORA2AADORA1PIK3CDPIP5K1C

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 PDE5A 748/4885ADORA2A 1336/4885ADORA1 3400/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885ADORA2A 2241/4885ADORA1 3912/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885ADORA2A 1336/4885ADORA1 3400/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885ADORA2A 1138/4885ADORA1 1730/4885

“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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