SCHEMBL14474588

SCHEMBL14474588

CNc1nc(-c2ccnnc2)nc2ccc(-c3cccc(F)c3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 13/20 0.42
▸ CYP2C19 P33261 10/20 0.42
▸ CYP3A4 P08684 10/20 0.42
▸ CYP2D6 P10635 9/20 0.42
▸ HSD17B10 Q99714 8/20 0.42
▸ CLK4 Q9HAZ1 7/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ LATS1 O95835 2/20 0.39
▸ LATS2 Q9NRM7 1/20 0.39
▸ TRIM58 Q8NG06 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ MAPK1 P28482 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18022961 0.91 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL14475170 0.87 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL14727813 0.86 CYP1A2 (0.42) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL14727486 0.86 CYP1A2 (0.44) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL14727810 0.84 CYP1A2 (0.42) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL14474569 0.84 PDE5A (0.41) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL16183517 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL16183652 0.82 PDE5A (0.51) CDK2GSK3BAURKBPDE5A
SCHEMBL14727818 0.82 CYP1A2 (0.45) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10
SCHEMBL14727487 0.81 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10

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
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 CYP1A2 4552/4885CYP2C19 4818/4885CYP3A4 4815/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP2C19 4822/4885CYP3A4 4805/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP2C19 4818/4885CYP3A4 4815/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP2C19 3815/4885CYP3A4 4456/4885

“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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