SCHEMBL2545759

SCHEMBL2545759

CCn1cc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c2nccc(C)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.55
CCNT1 O60563 8/20 0.55
CCNB1 P14635 8/20 0.55
CDK9 P50750 8/20 0.55
MTOR P42345 6/20 0.54
SMG1 Q96Q15 5/20 0.54
SLC2A1 P11166 1/20 0.54
CDK2 P24941 9/20 0.51
CCNA2 P20248 5/20 0.51
CDK7 P50613 5/20 0.51
CCNH P51946 5/20 0.51
CCNA1 P78396 5/20 0.51
LYN P07948 2/20 0.48
TXK P42681 2/20 0.48
SYK P43405 2/20 0.48
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
BTK Q06187 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 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
SCHEMBL2540573 0.93 CDK1 (0.56) CDK1CCNT1CCNB1CDK9MTOR
SCHEMBL2543299 0.89 IKBKB (0.53) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL2540708 0.83 CDK1 (0.56) CDK1CCNT1CCNB1CDK9MTOR
SCHEMBL2539825 0.83 CDK1 (0.53) CDK1CCNT1CCNB1CDK9MTOR
SCHEMBL12611335 0.82 CDK1 (0.69) CDK1CCNT1CCNB1CDK9MTOR
SCHEMBL2541549 0.82 CDK2 (0.53) CDK1CCNT1CCNB1CDK9CDK2
SCHEMBL2545044 0.81 CDK1 (0.60) CDK1CCNT1CCNB1CDK9MTOR
SCHEMBL2542328 0.80 CDK1 (0.59) CDK1CCNT1CCNB1CDK9MTOR
SCHEMBL2541936 0.79 IKBKB (0.50) IKBKB
SCHEMBL2542388 0.78 CAMK2D (0.53) CDK1CCNT1CCNB1CDK9CDK2

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 6 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-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 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.