SCHEMBL14726013

SCHEMBL14726013

Cc1ccc2nc(-c3cccc(C)n3)nc(Nc3ccncc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.76
MAPK14 Q16539 1/20 0.76
TGFBR2 P37173 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL6684058 0.86 TGFBR1 (1.00) TGFBR1MAPK14KDM4EALDH1A1RXFP1
SCHEMBL14731231 0.86 TGFBR1 (0.70) TGFBR1MAPK14TGFBR2KDM4E
SCHEMBL16404298 0.74 ABCG2 (0.72) TGFBR1MAPK14KDM4EALDH1A1RXFP1
SCHEMBL2906534 0.73 TGFBR1 (0.76) TGFBR1MAPK14
SCHEMBL6122117 0.72 KDM4E (0.57) TGFBR1MAPK14KDM4EALDH1A1
SCHEMBL29721920 0.72 TGFBR1 (0.59) TGFBR1MAPK14TGFBR2
SCHEMBL28734419 0.72 TGFBR1 (0.59) TGFBR1MAPK14TGFBR2
SCHEMBL6682547 0.71 TGFBR1 (1.00) TGFBR1MAPK14TGFBR2ALDH1A1
SCHEMBL28734420 0.70 TGFBR1 (0.57) TGFBR1MAPK14TGFBR2
SCHEMBL12090562 0.69 TGFBR1 (1.00) TGFBR1MAPK14

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 5 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-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US 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 (3 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 TGFBR1 4850/4885MAPK14 1943/4885TGFBR2 4845/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG TGFBR1 4780/4885MAPK14 1510/4885TGFBR2 4786/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA TGFBR1 4850/4885MAPK14 1943/4885TGFBR2 4845/4885

“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.