SCHEMBL2540201

SCHEMBL2540201

CCCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccnc(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.54
CDK1 P06493 5/20 0.54
CCNB1 P14635 5/20 0.54
CDK9 P50750 5/20 0.54
IKBKB O14920 11/20 0.52
CDK2 P24941 3/20 0.50
DKK1 O94907 2/20 0.48
GSK3B P49841 2/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
CCNA2 P20248 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45
CDK4 P11802 1/20 0.44

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
SCHEMBL2540451 0.93 IKBKB (0.53) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2541106 0.90 CDK1 (0.57) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2546541 0.85 CCNT1 (0.58) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2539081 0.83 GSK3B (0.61) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2541549 0.83 CDK2 (0.53) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2538339 0.82 CCNT1 (0.49) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2540708 0.82 CDK1 (0.56) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2544631 0.80 JAK2 (0.52) CCNT1CDK1CDK9CDK2GSK3B
SCHEMBL2545739 0.79 CCNT1 (0.57) CCNT1CDK1CCNB1CDK9IKBKB
SCHEMBL2546286 0.79 FLT3 (0.50) CCNT1CDK1CCNB1CDK9IKBKB

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 9 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-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

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 CCNT1 1213/4885CDK1 129/4885CCNB1 1308/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CCNT1 3334/4885CDK1 465/4885CCNB1 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.