SCHEMBL2542950

SCHEMBL2542950

CCn1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccncc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.61
▸ JAK2 O60674 8/20 0.55
▸ CDK2 P24941 6/20 0.52
▸ AURKA O14965 4/20 0.52
▸ CDK4 P11802 4/20 0.52
▸ AURKB Q96GD4 4/20 0.52
▸ CDK9 P50750 3/20 0.52
▸ KDR P35968 2/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ JAK3 P52333 2/20 0.52
▸ CDK1 P06493 2/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ CLK1 P49759 2/20 0.51
▸ CLK2 P49760 2/20 0.51
▸ CDK5 Q00535 2/20 0.51
▸ DYRK1A Q13627 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ CDC7 O00311 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ CIT O14578 1/20 0.51

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
SCHEMBL2541347 0.93 ACVR1 (0.57) ACVR1JAK2CDK2AURKACDK4
SCHEMBL2544927 0.91 JAK2 (0.56) ACVR1JAK2CDK2KDRPTK2
SCHEMBL2543938 0.90 ACVR1 (0.61) ACVR1JAK2CDK2AURKACDK4
SCHEMBL2544658 0.86 ACVR1 (0.56) ACVR1JAK2CDK2AURKACDK4
SCHEMBL12444986 0.86 CDK2 (0.58) ACVR1JAK2CDK2AURKACDK4
SCHEMBL2545785 0.86 BTK (0.53) ACVR1JAK2CDK2CDK9JAK3
SCHEMBL2539843 0.85 ACVR1 (0.55) ACVR1JAK2CDK2AURKACDK4
SCHEMBL2540053 0.83 GSK3B (0.50) ACVR1CDK2AURKACDK4AURKB
SCHEMBL2546577 0.83 ACVR1 (0.57) ACVR1JAK2CDK2AURKACDK4
SCHEMBL27809481 0.82 GSK3B (0.49) ACVR1CDK2CDK4CLK1CLK2

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 10 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
CN-103608014-A Use of kinase inhibitors in preventing and treating inflammatory disorder LUO YING 2014-02-26 — — CN 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
CN-103608014-A Use of kinase inhibitors in preventing and treating inflammatory disorder LUO YING 2014-02-26 — — CN disclosed
CN-101723936-B Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2014-01-15 — — CN 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
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 ACVR1 2914/4885JAK2 178/4885CDK2 89/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 ACVR1 2844/4885JAK2 184/4885CDK2 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.

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