SCHEMBL2544054

SCHEMBL2544054

CCCn1cc(-c2ccnc(Nc3cccc(C(=O)N4CCOCC4)c3)n2)c2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.54
▸ CDK9 P50750 2/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ EGFR P00533 2/20 0.48
▸ BTK Q06187 1/20 0.47
▸ SYK P43405 6/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ KIT P10721 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ JAK2 O60674 1/20 0.43

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
SCHEMBL2546292 0.94 CCNT1 (0.56) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL2542008 0.91 BTK (0.51) CDK9CDK1CCNA2CDK2EGFR
SCHEMBL2542426 0.91 SYK (0.46) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL2543943 0.85 FLT3 (0.51) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL2545785 0.85 BTK (0.53) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL28784438 0.85 CDK2 (0.45) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL2542034 0.83 FLT3 (0.55) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL2540539 0.82 CCNT1 (0.55) CCNT1CDK9CDK1CCNB1CCNA2
SCHEMBL2546231 0.82 MKNK1 (0.48) CDK1CCNA2CDK2EGFRSYK
SCHEMBL2541347 0.81 ACVR1 (0.57) CCNT1CDK9CDK1CDK2EGFR

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 242/4885CDK1 129/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CCNT1 3334/4885CDK9 763/4885CDK1 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.

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