SCHEMBL2539513

SCHEMBL2539513

CCn1cc(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)c2ccnc(Cl)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.56
▸ CDK9 P50750 4/20 0.56
▸ CDK2 P24941 4/20 0.56
▸ CCNA2 P20248 3/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ CCNB1 P14635 2/20 0.56
▸ CDK7 P50613 2/20 0.56
▸ CCNH P51946 2/20 0.56
▸ CCNE1 P24864 1/20 0.49
▸ EGFR P00533 3/20 0.45
▸ CCNA1 P78396 1/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ CNR1 P21554 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL2541568 0.94 CCNT1 (0.55) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2540477 0.88 CCNT1 (0.58) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2541893 0.83 CCNT1 (0.56) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2543307 0.81 CCNT1 (0.54) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2539843 0.81 ACVR1 (0.55) CCNT1CDK9CDK2CDK1CCNE1
SCHEMBL2542354 0.81 CCNT1 (0.56) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2539226 0.81 CCNT1 (0.56) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2537277 0.80 CAMK2D (0.56) CDK2CDK1CCNB1CDK7CCNH
SCHEMBL2547228 0.79 BTK (0.51) CCNT1CDK9CDK2CCNA2CDK1
SCHEMBL2538156 0.79 IKBKB (0.60) IKBKBCHUK

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 1213/4885CDK9 242/4885CDK2 89/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CCNT1 3334/4885CDK9 763/4885CDK2 420/4885

“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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