SCHEMBL14475050

SCHEMBL14475050

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PDE5A O76074 4/20 0.54
▸ ABCG2 Q9UNQ0 4/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL14474998 0.91 ABCG2 (0.55) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL14475029 0.87 PDE5A (0.51) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL14475173 0.87 PDE5A (0.49) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL14475168 0.87 PIK3CA (0.49) CYP1A2CYP3A4TSHRMAPTCYP2C19
SCHEMBL14475037 0.86 MEN1 (0.59) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL16183773 0.85 CYP1A2 (0.54) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL14474980 0.84 ABCG2 (0.62) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL14475003 0.84 CYP11B2 (0.56) CYP1A2CYP3A4KDM4ETSHRHSD17B10
SCHEMBL14475206 0.84 MAP4K4 (0.53) CYP1A2CYP3A4KDM4ETSHRMAPT
SCHEMBL14475072 0.84 MAP4K4 (0.53) CYP1A2CYP3A4MAPTCYP2C19HSD17B10

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 11 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-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 4552/4885CYP3A4 4815/4885KDM4E 1215/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885KDM4E 1069/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885KDM4E 1215/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP3A4 4456/4885KDM4E 1395/4885

“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.

Send feedback