SCHEMBL2546541

SCHEMBL2546541

CCCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccncc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.58
CDK1 P06493 6/20 0.58
CCNB1 P14635 6/20 0.58
CDK9 P50750 6/20 0.58
CDK2 P24941 3/20 0.54
IKBKB O14920 9/20 0.50
GSK3B P49841 2/20 0.50
DKK1 O94907 1/20 0.50
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
CCNA2 P20248 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
IGF1R P08069 1/20 0.47
DYRK1B Q9Y463 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
SCHEMBL2545739 0.92 CCNT1 (0.57) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2545958 0.90 CDK1 (0.61) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2540201 0.85 CCNT1 (0.54) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2539081 0.84 GSK3B (0.61) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2229140 0.84 CCNT1 (0.54) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2542328 0.83 CDK1 (0.59) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2541549 0.80 CDK2 (0.53) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2541347 0.80 ACVR1 (0.57) CCNT1CDK1CDK9CDK2GSK3B
SCHEMBL2540451 0.79 IKBKB (0.53) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2546577 0.79 ACVR1 (0.57) CCNT1CDK1CCNB1CDK9CDK2

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
WO-2012126181-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2012-09-27 WO 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
WO-2012126181-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2012-09-27 WO 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.