SCHEMBL13629408

SCHEMBL13629408

CCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
CCNA1 P78396 1/20 0.51
CDK6 Q00534 1/20 0.51
IDH1 O75874 4/20 0.49
PPARG P37231 2/20 0.49
MCL1 Q07820 6/20 0.46
SGK1 O00141 1/20 0.44
CYP3A4 P08684 1/20 0.44
BRD4 O60885 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
KIF11 P52732 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
SCHEMBL13629322 0.88 CDK1 (0.51) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL13629290 0.85 BRD4 (0.52) PPARGSGK1BRD4
SCHEMBL13629411 0.85 PPARG (0.55) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL13615251 0.84 CDK1 (0.52) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL13629338 0.81 SLC22A12 (0.53) BRD4SLC22A12
SCHEMBL13629417 0.81 KMT2A (0.52) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL13629466 0.80 BRPF1 (0.46) PPARGCYP3A4SLC22A12
SCHEMBL13629465 0.79 LMNA (0.54) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL13629410 0.78 HSD17B2 (0.61) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL1999031 0.78 CDK1 (0.55) CDK1CCNB1CCNA2CCND1CDK2

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 CDK1 339/4885CCNB1 2488/4885CCNA2 1742/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK CDK1 311/4885CCNB1 2524/4885CCNA2 1695/4885

“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.