SCHEMBL14475187

SCHEMBL14475187

CNc1nc(-c2cnccn2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 3/20 0.43
▸ ALOX5AP P20292 2/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE5A O76074 3/20 0.39
▸ CYP1A2 P05177 5/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LATS1 O95835 1/20 0.39
▸ LATS2 Q9NRM7 1/20 0.39
▸ WNT3A P56704 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36

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
SCHEMBL16183730 0.92 FEN1 (0.43) FEN1ALOX5APNPC1RAB9APDE5A
SCHEMBL14474140 0.86 LMNA (0.45) NPC1RAB9APDE5ACYP1A2CYP3A4
SCHEMBL16184365 0.86 FEN1 (0.41) FEN1ALOX5APNPC1RAB9ACYP1A2
SCHEMBL14727487 0.84 CYP1A2 (0.41) FEN1ALOX5APCYP1A2CYP3A4CYP2C19
SCHEMBL14475213 0.84 CYP1A2 (0.59) RAB9APDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL14474740 0.84 NPC1 (0.42) FEN1ALOX5APNPC1RAB9APDE5A
SCHEMBL14475190 0.84 CYP1A2 (0.42) FEN1ALOX5APCYP1A2CYP3A4CYP2C19
SCHEMBL14475060 0.84 LATS1 (0.51) PDE5ACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL16183731 0.83 LATS1 (0.41) FEN1ALOX5APNPC1RAB9APDE5A
SCHEMBL14727806 0.83 PDE5A (0.40) FEN1PDE5ACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 — — EP disclosed
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-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — 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 FEN1 4727/4885ALOX5AP 2314/4885NPC1 2700/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG FEN1 4675/4885ALOX5AP 3266/4885NPC1 2982/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA FEN1 4727/4885ALOX5AP 2314/4885NPC1 2700/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB FEN1 3258/4885ALOX5AP 2918/4885NPC1 2208/4885

“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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