SCHEMBL2544056

SCHEMBL2544056

CCCn1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCNCC4)c3)n2)c2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
IKBKB O14920 15/20 0.51
CHUK O15111 14/20 0.51
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
FLT3 P36888 1/20 0.50
CCNT1 O60563 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CDK9 P50750 1/20 0.46
ERBB2 P04626 1/20 0.44
PTK6 Q13882 1/20 0.44

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
SCHEMBL2539482 0.92 FLT3 (0.57) GSK3BCCNE1CDK2FLT3CCNT1
SCHEMBL2542970 0.91 IKBKB (0.58) GSK3BIKBKBCHUKCCNE1CDK2
SCHEMBL2539352 0.85 CDK1 (0.61) GSK3BCCNE1CDK2FLT3CCNT1
SCHEMBL2540221 0.85 CDK2 (0.67) GSK3BCCNE1CDK2FLT3CCNT1
SCHEMBL2541936 0.84 IKBKB (0.50) IKBKBCHUKERBB2PTK6
SCHEMBL2541932 0.83 GSK3B (0.56) GSK3BIKBKBCHUKCCNE1CDK2
SCHEMBL2541357 0.82 CCNE1 (0.62) GSK3BIKBKBCHUKCCNE1CDK2
SCHEMBL2542401 0.81 IKBKB (0.51) IKBKBCHUKERBB2PTK6
SCHEMBL2544646 0.81 IKBKB (0.48) IKBKBCHUK
SCHEMBL2545035 0.81 FLT3 (0.60) GSK3BCCNE1CDK2FLT3CCNT1

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 GSK3B 329/4885IKBKB 348/4885CHUK 154/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 GSK3B 263/4885IKBKB 50/4885CHUK 31/4885

“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.