SCHEMBL2539352

SCHEMBL2539352

CCCn1cc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c2cccnc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.61
CCNT1 O60563 10/20 0.61
CCNB1 P14635 10/20 0.61
CDK9 P50750 10/20 0.61
GSK3B P49841 3/20 0.60
SLC2A1 P11166 1/20 0.55
MTOR P42345 5/20 0.53
SMG1 Q96Q15 5/20 0.53
CDK2 P24941 9/20 0.51
CCNE1 P24864 1/20 0.51
FLT3 P36888 1/20 0.51
CCNA2 P20248 5/20 0.49
CDK7 P50613 5/20 0.49
CCNH P51946 5/20 0.49
CCNA1 P78396 5/20 0.49

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
SCHEMBL2545044 0.93 CDK1 (0.60) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2539081 0.90 GSK3B (0.61) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2539482 0.87 FLT3 (0.57) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2544056 0.85 GSK3B (0.54) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2545958 0.85 CDK1 (0.61) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL12263516 0.85 GSK3B (0.63) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2541106 0.84 CDK1 (0.57) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2540531 0.84 GSK3B (0.65) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL12611335 0.83 CDK1 (0.69) CDK1CCNT1CCNB1CDK9GSK3B
SCHEMBL2544929 0.83 CCNT1 (0.58) CDK1CCNT1CCNB1CDK9GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 US claimed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US claimed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US claimed
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US disclosed
WO-2010051781-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC. (CN) 2010-05-14 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 CDK1 129/4885CCNT1 1213/4885CCNB1 1308/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CDK1 465/4885CCNT1 3334/4885CCNB1 2741/4885

“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.