SCHEMBL2541355

SCHEMBL2541355

CCn1cc(-c2ccnc(Nc3cccc(C#N)c3)n2)c2cccnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.59
▸ CDK2 P24941 4/20 0.55
▸ DYRK1A Q13627 3/20 0.55
▸ CDK4 P11802 3/20 0.55
▸ CCNE1 P24864 1/20 0.52
▸ FLT3 P36888 1/20 0.52
▸ SMG1 Q96Q15 1/20 0.47
▸ CDK1 P06493 4/20 0.46
▸ CCNB2 O95067 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ CCNB3 Q8WWL7 2/20 0.46
▸ RET P07949 1/20 0.46
▸ IKBKB O14920 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ SYK P43405 2/20 0.44
▸ PRKCA P17252 3/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ BCR P11274 1/20 0.42

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
SCHEMBL2536027 0.85 GSK3B (0.61) GSK3BCDK2DYRK1ACDK4CCNE1
SCHEMBL12263225 0.84 GSK3B (0.60) GSK3BCDK2DYRK1ACCNE1FLT3
SCHEMBL2545044 0.81 CDK1 (0.60) GSK3BCDK2DYRK1ACCNE1FLT3
SCHEMBL2538373 0.81 GSK3B (0.57) GSK3BCDK2DYRK1ACCNE1FLT3
SCHEMBL2543297 0.81 ABL1 (0.57) GSK3BCDK2DYRK1ACDK4CCNE1
SCHEMBL28857023 0.81 GSK3B (0.62) GSK3BCDK2DYRK1ACDK4CCNE1
SCHEMBL30070522 0.81 GSK3B (0.62) GSK3BCDK2DYRK1ACDK4CCNE1
SCHEMBL2543947 0.80 GSK3B (0.63) GSK3BCDK2DYRK1ACCNE1FLT3
SCHEMBL2540531 0.78 GSK3B (0.65) GSK3BCDK2DYRK1ACDK4CCNE1
SCHEMBL12263516 0.77 GSK3B (0.63) GSK3BCDK2DYRK1ACCNE1FLT3

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 12 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
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 — — CN 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-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — 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
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US disclosed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 — — CN 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 329/4885CDK2 89/4885DYRK1A 542/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 GSK3B 263/4885CDK2 420/4885DYRK1A 2129/4885

“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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