SCHEMBL2542938

SCHEMBL2542938

CCCn1cc(-c2ccnc(Nc3cccc(C(=O)N4CCOCC4)c3)n2)c2nc(Cl)cc(C)c21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ CCNB1 P14635 2/20 0.54
▸ CCNA2 P20248 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ CDK7 P50613 2/20 0.54
▸ CDK9 P50750 2/20 0.54
▸ CCNH P51946 2/20 0.54
▸ NTRK1 P04629 1/20 0.46
▸ BTK Q06187 1/20 0.45
▸ KIT P10721 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SYK P43405 9/20 0.42
▸ CCNA1 P78396 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL2540505 0.92 BTK (0.49) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2546325 0.86 CAMK2D (0.53) CDK1CCNB1CDK2CDK7CCNH
SCHEMBL2542180 0.85 CCNT1 (0.58) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2547332 0.83 JAK2 (0.53) CCNT1CDK1CDK2CDK9KIT
SCHEMBL2542192 0.82 PLK1 (0.48) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2539863 0.82 FLT3 (0.55) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2544054 0.81 CCNT1 (0.54) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2543307 0.81 CCNT1 (0.54) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2540539 0.80 CCNT1 (0.55) CCNT1CDK1CCNB1CCNA2CDK2
SCHEMBL2542799 0.79 FLT3 (0.55) CDK1CCNB1CDK2CDK7CDK9

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 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.

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