SCHEMBL2541936

SCHEMBL2541936

CCCn1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCNCC4)c3)n2)c2nccc(C)c21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 17/20 0.50
▸ CHUK O15111 16/20 0.50
▸ SRC P12931 2/20 0.48
▸ 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
SCHEMBL2544646 0.91 IKBKB (0.48) IKBKBCHUKSRC
SCHEMBL2539360 0.91 IKBKB (0.59) IKBKBCHUK
SCHEMBL2540573 0.86 CDK1 (0.56) IKBKB
SCHEMBL2545770 0.85 CAMK2D (0.51) —
SCHEMBL2544056 0.84 GSK3B (0.54) IKBKBCHUKERBB2PTK6
SCHEMBL2544634 0.83 IKBKB (0.55) IKBKBCHUK
SCHEMBL2541859 0.80 CDK2 (0.53) —
SCHEMBL2542401 0.79 IKBKB (0.51) IKBKBCHUKSRCERBB2PTK6
SCHEMBL2545759 0.79 CDK1 (0.55) IKBKB
SCHEMBL2542388 0.79 CAMK2D (0.53) —

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 IKBKB 348/4885CHUK 154/4885SRC 87/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 IKBKB 50/4885CHUK 31/4885SRC 262/4885

“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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