SCHEMBL2540539

SCHEMBL2540539

CCn1cc(-c2ccnc(Nc3cccc(C(=O)N4CCOCC4)c3)n2)c2ccnc(Cl)c21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
CDK7 P50613 2/20 0.55
CDK9 P50750 2/20 0.55
CCNH P51946 2/20 0.55
NTRK1 P04629 1/20 0.47
BTK Q06187 1/20 0.46
SYK P43405 7/20 0.45
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44
JAK2 O60674 3/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
ACVR1 Q04771 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL2547228 0.91 BTK (0.51) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2546292 0.87 CCNT1 (0.56) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2541381 0.85 FLT3 (0.46) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2542180 0.85 CCNT1 (0.58) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2537277 0.85 CAMK2D (0.56) CDK1CCNB1CDK2CDK7CCNH
SCHEMBL2544054 0.82 CCNT1 (0.54) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2544980 0.81 PLK1 (0.47) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2539843 0.80 ACVR1 (0.55) CCNT1CDK1CDK2CDK9SYK
SCHEMBL2542938 0.80 CCNT1 (0.54) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2543943 0.78 FLT3 (0.51) CCNT1CDK1CCNB1CCNA2CDK2

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 5 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-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.