SCHEMBL13615340

SCHEMBL13615340

Cc1cc(C(C)(C)C)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.60
KIF11 P52732 1/20 0.50
IDH1 O75874 1/20 0.49
GAA P10253 1/20 0.48
CCKBR P32239 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
CCNA1 P78396 1/20 0.46
CDK6 Q00534 1/20 0.46

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
SCHEMBL13615259 0.90 MCL1 (0.62) MCL1KIF11LMNAPOLBALDH1A1
SCHEMBL13852834 0.87 MCL1 (0.59) MCL1IDH1LMNAALDH1A1ACLY
SCHEMBL13852957 0.87 MCL1 (0.55) MCL1KIF11IDH1GAACCKBR
SCHEMBL13852847 0.86 ACLY (0.53) MCL1SLC40A1ACLY
SCHEMBL13852823 0.82 MCL1 (0.59) MCL1GAALMNAALDH1A1L3MBTL1
SCHEMBL13615339 0.81 SLC22A12 (0.52) MCL1L3MBTL1ACLY
SCHEMBL13615288 0.81 HSD17B2 (0.57) KIF11
SCHEMBL13852835 0.79 HSD17B2 (0.57) MCL1IDH1GAALMNACDK1
SCHEMBL13615121 0.79 CDK1 (0.52) MCL1IDH1LMNAPOLBHTT
SCHEMBL13615244 0.78 NHERF1 (0.65) MCL1ALDH1A1L3MBTL1CDK1CCNB1

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 MCL1 790/4885KIF11 1465/4885IDH1 684/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK MCL1 786/4885KIF11 1244/4885IDH1 681/4885

“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.