SCHEMBL14474569

SCHEMBL14474569

CNc1nc(-c2ccnnc2)nc2ccc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.41
▸ CYP1A2 P05177 8/20 0.40
▸ CYP3A4 P08684 6/20 0.40
▸ CYP2C19 P33261 6/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ CYP2D6 P10635 5/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LATS1 O95835 2/20 0.40
▸ LATS2 Q9NRM7 1/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ RICTOR Q6R327 1/20 0.38
▸ RPTOR Q8N122 1/20 0.38

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
SCHEMBL14475060 0.88 LATS1 (0.51) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14727806 0.87 PDE5A (0.40) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14475213 0.86 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14727816 0.86 GBA1 (0.42) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183517 0.84 CYP1A2 (0.47) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14474588 0.84 CYP1A2 (0.42) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL18022961 0.83 CYP1A2 (0.41) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14727814 0.82 DHODH (0.43) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14475187 0.81 FEN1 (0.43) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183648 0.81 PDE5A (0.51) PDE5APIP4K2CKDM4EALDH1A1MAPT

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 PDE5A 748/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885CYP1A2 4619/4885CYP3A4 4805/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885CYP1A2 4552/4885CYP3A4 4815/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885CYP1A2 2971/4885CYP3A4 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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