SCHEMBL2546231

SCHEMBL2546231

CCCn1cc(-c2ccnc(Nc3ccc(C(=O)N4CCNCC4)cc3)n2)c2ccncc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.48
ACVR1 Q04771 3/20 0.46
CDK2 P24941 2/20 0.46
CDK1 P06493 1/20 0.46
FLT3 P36888 2/20 0.45
GSK3B P49841 1/20 0.44
CDK6 Q00534 2/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
IKBKB O14920 5/20 0.43
CHUK O15111 5/20 0.43
IKBKG Q9Y6K9 4/20 0.43
CCND1 P24385 1/20 0.42
EGFR P00533 1/20 0.42
PTK2 Q05397 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41
SYK P43405 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
SCHEMBL2542426 0.91 SYK (0.46) MKNK1ACVR1CDK2CDK1FLT3
SCHEMBL2542034 0.91 FLT3 (0.55) ACVR1CDK2CDK1FLT3GSK3B
SCHEMBL2542008 0.90 BTK (0.51) ACVR1CDK2CDK1FLT3GSK3B
SCHEMBL2546577 0.85 ACVR1 (0.57) ACVR1CDK2CDK1FLT3CDK6
SCHEMBL2541867 0.84 FLT3 (0.55) ACVR1CDK2CDK1FLT3GSK3B
SCHEMBL2545785 0.83 BTK (0.53) ACVR1CDK2CDK1FLT3CDK6
SCHEMBL27809537 0.83 ACVR1 (0.50) ACVR1CDK2CDK1FLT3GSK3B
SCHEMBL2544054 0.82 CCNT1 (0.54) CDK2CDK1FLT3GSK3BCCNA2
SCHEMBL2546356 0.80 CDK2 (0.53) ACVR1CDK2CDK1FLT3GSK3B
SCHEMBL2543938 0.78 ACVR1 (0.61) ACVR1CDK2CDK1FLT3CDK6

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 MKNK1 43/4885ACVR1 2914/4885CDK2 89/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 MKNK1 202/4885ACVR1 2844/4885CDK2 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.