SCHEMBL2539201

SCHEMBL2539201

CCCn1cc(-c2ccnc(Nc3ccc(O)cc3)n2)c2cccnc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.66
FLT3 P36888 3/20 0.53
CCNB2 O95067 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CCNB3 Q8WWL7 3/20 0.50
DYRK1A Q13627 1/20 0.49
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
EGFR P00533 3/20 0.47
PLK1 P53350 2/20 0.47
KDR P35968 1/20 0.47
PTK2 Q05397 1/20 0.47
AURKB Q96GD4 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
HDAC1 Q13547 2/20 0.46
RET P07949 3/20 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
SCHEMBL2543947 0.92 GSK3B (0.63) GSK3BFLT3CCNB2CDK1CCNB1
SCHEMBL2540531 0.89 GSK3B (0.65) GSK3BFLT3CCNB2CDK1CCNB1
SCHEMBL2539081 0.85 GSK3B (0.61) GSK3BFLT3CCNB2CDK1CCNB1
SCHEMBL2538181 0.85 FLT3 (0.65) GSK3BFLT3CCNB2CDK1CCNB1
SCHEMBL2547216 0.84 FLT3 (0.61) GSK3BFLT3CDK1CCNB1DYRK1A
SCHEMBL2545035 0.83 FLT3 (0.60) GSK3BFLT3CDK1CCNB1DYRK1A
SCHEMBL2541111 0.82 FLT3 (0.81) GSK3BFLT3CDK1CCNB1DYRK1A
SCHEMBL12263516 0.82 GSK3B (0.63) GSK3BFLT3CCNB2CDK1CCNB1
SCHEMBL2541932 0.81 GSK3B (0.56) GSK3BFLT3CCNB2CDK1CCNB1
SCHEMBL2536027 0.81 GSK3B (0.61) GSK3BFLT3CCNB2CDK1CCNB1

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 11 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-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
WO-2010051781-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC. (CN) 2010-05-14 WO 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 329/4885FLT3 388/4885CCNB2 1037/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 GSK3B 263/4885FLT3 1182/4885CCNB2 2212/4885

“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.