SCHEMBL13629330

SCHEMBL13629330

CCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.68
FFAR1 O14842 1/20 0.57
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
CDK7 P50613 1/20 0.57
CCNH P51946 1/20 0.57
CCNA1 P78396 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
AR P10275 1/20 0.56
ESR2 Q92731 1/20 0.56
HIF1A Q16665 1/20 0.54
TSHR P16473 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL13629410 0.88 HSD17B2 (0.61) HSD17B2FFAR1CDK1CCNB1CCNA2
SCHEMBL7573925 0.87 HSD17B2 (0.79) HSD17B2FFAR1CDK1CCNB1CCNA2
SCHEMBL13629421 0.86 BRD4 (0.56) HSD17B2FFAR1CDK1CCNB1CCNA2
SCHEMBL13629416 0.83 ALDH1A1 (0.60) HSD17B2PGRHIF1AMAPTMAPK1
SCHEMBL13615099 0.82 HSD17B2 (0.68) HSD17B2FFAR1CDK1CCNB1CCNA2
SCHEMBL13852925 0.81 PKM (0.75) PGRHIF1AMAPTHDAC1HDAC8
SCHEMBL26075671 0.80 HSD17B2 (0.72) HSD17B2FFAR1CDK1CCNB1CCNA2
SCHEMBL13629345 0.79 PGR (0.61) FFAR4PGRTSHRMAPK1GAA
SCHEMBL13629465 0.78 LMNA (0.54) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL13629322 0.78 CDK1 (0.51) CDK1CCNB1CCNA2CDK2CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 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 (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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK HSD17B2 4198/4885FFAR1 3033/4885CDK1 339/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK HSD17B2 4325/4885FFAR1 3586/4885CDK1 311/4885

“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.