SCHEMBL12909780

SCHEMBL12909780

Cc1cc(SCc2ccnc(-c3ccccc3)n2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MAPT P10636 4/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ESR2 Q92731 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SCN9A Q15858 1/20 0.35
ITK Q08881 1/20 0.35
CDC7 O00311 1/20 0.34

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
SCHEMBL12909777 0.82 PPARD (0.53)
SCHEMBL12909781 0.80 PPARD (0.56) L3MBTL1MAPT
SCHEMBL12909775 0.80 PPARD (0.44) L3MBTL1POLBMAPTKMT2AMEN1
SCHEMBL946182 0.73 PPARD (0.56)
SCHEMBL946259 0.73 PPARD (0.57) MAPTHPGDKMT2AMEN1
SCHEMBL944128 0.73 PPARD (0.55) MAPTHPGDKMT2AMEN1
SCHEMBL945635 0.71 PPARD (0.70)
SCHEMBL16385243 0.71 TLR8 (0.43) POLBESR1KMT2AMEN1ESR2
SCHEMBL944889 0.68 PPARD (0.51) MAPTHPGDKMT2AMEN1
SCHEMBL7958916 0.67 TRPV3 (0.45) L3MBTL1POLBMAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759355-B2 Aryl pyrimidine derivatives, preparation methods and pharmaceutical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2014-06-24 US disclosed
US-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INSTITUE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2011-01-13 US disclosed
EP-2184277-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-05-12 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 (1 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-20110009427-A1 ARYL PYRIMIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF PPARD, PPARG, PPARA L3MBTL1 4830/4885POLB 400/4885CTDSP1 934/4885

“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.