SCHEMBL14475063

SCHEMBL14475063

CC(=O)c1ccc(-c2ccc3nc(-c4cccnc4)nc(N)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.55
▸ MKNK1 Q9BUB5 5/20 0.47
▸ MKNK2 Q9HBH9 5/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ IP6K1 Q92551 1/20 0.45
▸ IP6K3 Q96PC2 1/20 0.45
▸ IP6K2 Q9UHH9 1/20 0.45
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 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
SCHEMBL14475056 0.92 DHFR (0.56) RAB9AMKNK2EGLN1DHFRCYP1A2
SCHEMBL14474558 0.84 CYP1A2 (0.61) RAB9AMKNK1MKNK2CYP1A2CYP3A4
SCHEMBL14475135 0.84 CYP3A4 (0.61) RAB9AMKNK1MKNK2EGLN1CYP1A2
SCHEMBL14475857 0.83 ADORA3 (0.53) RAB9AMKNK1MKNK2CYP1A2CYP3A4
SCHEMBL14475050 0.83 CYP1A2 (0.54) RAB9ACYP1A2CYP3A4CLK4TSHR
SCHEMBL14475029 0.83 PDE5A (0.51) RAB9AEGLN1CYP1A2CYP3A4CLK4
SCHEMBL14475168 0.83 PIK3CA (0.49) MKNK1MKNK2CYP1A2CYP3A4CLK4
SCHEMBL14474980 0.82 ABCG2 (0.62) RAB9ACYP1A2CYP3A4CLK4TSHR
SCHEMBL14475832 0.82 RAB9A (0.52) RAB9AMKNK1MKNK2IP6K1IP6K3
SCHEMBL14475037 0.82 MEN1 (0.59) MKNK1MKNK2CYP1A2CYP3A4CLK4

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 RAB9A 1231/4885MKNK1 598/4885MKNK2 435/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG RAB9A 1248/4885MKNK1 365/4885MKNK2 267/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA RAB9A 1231/4885MKNK1 598/4885MKNK2 435/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB RAB9A 1340/4885MKNK1 537/4885MKNK2 402/4885

“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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