SCHEMBL2540451

SCHEMBL2540451

CCn1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccnc(Cl)c21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.53
CCNT1 O60563 5/20 0.53
CDK1 P06493 5/20 0.53
CCNB1 P14635 5/20 0.53
CDK9 P50750 5/20 0.53
DKK1 O94907 2/20 0.50
GSK3B P49841 2/20 0.50
CDK2 P24941 4/20 0.49
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
CCNA2 P20248 2/20 0.46
CDK7 P50613 2/20 0.46
CCNH P51946 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK4 P11802 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
SCHEMBL2540201 0.93 CCNT1 (0.54) IKBKBCCNT1CDK1CCNB1CDK9
SCHEMBL2540708 0.89 CDK1 (0.56) IKBKBCCNT1CDK1CCNB1CDK9
SCHEMBL2540243 0.85 GSK3B (0.44) CCNT1CDK1CCNB1CDK9GSK3B
SCHEMBL2545739 0.85 CCNT1 (0.57) IKBKBCCNT1CDK1CCNB1CDK9
SCHEMBL2538156 0.84 IKBKB (0.60) IKBKB
SCHEMBL27809436 0.83 GSK3B (0.44) CDK1CCNB1GSK3BCDK2
SCHEMBL2541106 0.82 CDK1 (0.57) IKBKBCCNT1CDK1CCNB1CDK9
SCHEMBL2544929 0.82 CCNT1 (0.58) IKBKBCCNT1CDK1CCNB1CDK9
SCHEMBL2543299 0.82 IKBKB (0.53) IKBKBCCNT1CDK1CCNB1CDK9
SCHEMBL2539843 0.80 ACVR1 (0.55) CCNT1CDK1CDK9GSK3BCDK2

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 7 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
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 CN 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US disclosed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 CN 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 IKBKB 348/4885CCNT1 1213/4885CDK1 129/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 IKBKB 50/4885CCNT1 3334/4885CDK1 465/4885

“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.