SCHEMBL3300072

SCHEMBL3300072

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 10/20 0.53
RECQL P46063 1/20 0.46
PRKAB2 O43741 3/20 0.45
PRKAG1 P54619 3/20 0.45
PRKAA2 P54646 3/20 0.45
PRKAA1 Q13131 3/20 0.45
PRKAG3 Q9UGI9 3/20 0.45
PRKAG2 Q9UGJ0 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MGAT2 Q10469 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE10A Q9Y233 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3299790 0.93 RECQL (0.46) PRLHRRECQLALDH1A1MAPTPDE10A
SCHEMBL3301167 0.92 PRLHR (0.48) PRLHRRECQLALDH1A1MAPTPDE10A
SCHEMBL3299804 0.92 LMNA (0.50) PRLHRRECQLPRKAB2PRKAG1PRKAA2
SCHEMBL3301087 0.92 RECQL (0.47) PRLHRRECQLALDH1A1MAPTPDE10A
SCHEMBL17358374 0.91 RECQL (0.48) PRLHRRECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL3302520 0.91 PRLHR (0.47) PRLHRRECQLALDH1A1MAPTMGAT2
SCHEMBL3299059 0.90 PRLHR (0.49) PRLHRRECQLALDH1A1MAPTPDE10A
SCHEMBL3297467 0.89 PRLHR (0.45) PRLHRRECQLALDH1A1MAPTMGAT2
SCHEMBL3297793 0.89 PRLHR (0.50) PRLHRMGAT2
SCHEMBL3299870 0.89 CDK1 (0.52) PRLHRRECQLALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016024598-A1 NOVEL TETRAHYDRO PYRIDOPYRIMIDINONE DERIVATIVE 味の素株式会社 2016-02-18 WO disclosed
US-20150368242-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-12-24 US disclosed
WO-2014133134-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE 味の素株式会社 (JP) 2014-09-04 WO disclosed
US-8232282-B2 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2078719-A1 COMPOUND HAVING BICYCLIC PYRIMIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-07-15 EP 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 (2 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-20100093771-A1 Compound having bicyclic pyrimidine structure and pharmaceutical composition comprising the same GART, MGAT2, MGAT1 PRLHR 3093/4885RECQL 1541/4885PRKAB2 2266/4885
US-20150368242-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVE MGAT2, MGAT1, MGAT3 PRLHR 1904/4885RECQL 4237/4885PRKAB2 2603/4885

“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.