SCHEMBL9965992

SCHEMBL9965992

CNCc1cn2ccsc2n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK10 P53779 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL24777123 0.85 POLB (0.57) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL9963372 0.81 TP53 (0.51) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL16136315 0.81 TP53 (0.58) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL4764484 0.78 NPC1 (0.56) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL12338477 0.78 ALDH1A1 (0.53) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL19413241 0.78 TP53 (0.54) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL16133688 0.78 TP53 (0.57) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL14131227 0.77 SMN1; SMN2 (0.49) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL12631459 0.77 SMN1; SMN2 (0.52) TP53HPGDALDH1A1TSHRL3MBTL1
SCHEMBL23571793 0.77 NPC1 (0.60) TP53HPGDALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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 (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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 TP53 4199/4885HPGD 1078/4885ALDH1A1 3897/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 TP53 4005/4885HPGD 1168/4885ALDH1A1 4050/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TP53 4766/4885HPGD 1024/4885ALDH1A1 534/4885

“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.