SCHEMBL2436075

SCHEMBL2436075

CC(C)(CO)Sc1cccc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 7/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
BACE1 P56817 1/20 0.35
TP53 P04637 1/20 0.34
NOS1 P29475 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL5313141 0.79 CYP3A4 (0.46) CYP3A4CASP1RECQLALDH1A1TDP1
Hydrochloric Acid SCHEMBL27555401 0.77 HSD17B10 (0.44) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL2950715 0.77 ALDH1A1 (0.37) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL28896441 0.72 CYP3A4 (0.55) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL1063693 0.72 PBRM1 (0.37) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL4298138 0.71 TSHR (0.41) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL29574292 0.71 ALDH1A1 (0.56) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL656796 0.71 ALDH1A1 (0.56) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL24798532 0.70 CYP3A4 (0.41) CYP3A4CASP1RECQLALDH1A1TDP1
SCHEMBL29973024 0.70 CYP3A4 (0.41) CYP3A4CASP1RECQLALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 CYP3A4 3598/4885CASP1 3343/4885RECQL 737/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 CYP3A4 2429/4885CASP1 2229/4885RECQL 632/4885

“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.