SCHEMBL2541347

SCHEMBL2541347

CCCn1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccncc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 3/20 0.57
▸ JAK2 O60674 8/20 0.53
▸ KDR P35968 3/20 0.53
▸ PTK2 Q05397 2/20 0.53
▸ CDK2 P24941 7/20 0.51
▸ CDK4 P11802 5/20 0.51
▸ AURKA O14965 4/20 0.51
▸ AURKB Q96GD4 4/20 0.51
▸ CDK9 P50750 3/20 0.51
▸ FLT3 P36888 2/20 0.51
▸ CLK1 P49759 2/20 0.50
▸ CLK2 P49760 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ CLK4 Q9HAZ1 2/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ DYRK2 Q92630 1/20 0.50

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
SCHEMBL2544658 0.94 ACVR1 (0.56) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2542950 0.93 ACVR1 (0.61) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2546577 0.90 ACVR1 (0.57) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2542008 0.86 BTK (0.51) ACVR1JAK2CDK2CDK9FLT3
SCHEMBL2544631 0.86 JAK2 (0.52) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2547216 0.85 FLT3 (0.61) ACVR1JAK2KDRPTK2CDK2
SCHEMBL12444986 0.84 CDK2 (0.58) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2544927 0.84 JAK2 (0.56) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2543938 0.83 ACVR1 (0.61) ACVR1JAK2KDRPTK2CDK2
SCHEMBL2541893 0.81 CCNT1 (0.56) CDK2CDK9EGFRCDK1CCNT1

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 4 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-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 ACVR1 2914/4885JAK2 178/4885KDR 872/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 ACVR1 2844/4885JAK2 184/4885KDR 3455/4885

“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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