SCHEMBL2539482

SCHEMBL2539482

CCCn1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)c2cccnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.57
CCNE1 P24864 2/20 0.57
CDK2 P24941 2/20 0.57
GSK3B P49841 3/20 0.55
PDE5A O76074 7/20 0.51
CDK1 P06493 4/20 0.47
CCNB1 P14635 4/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
MTOR P42345 1/20 0.47
SMG1 Q96Q15 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3C2G O75747 1/20 0.45
PIK3CG P48736 1/20 0.45
PDGFRB P09619 2/20 0.43
SRC P12931 1/20 0.43
CCNB2 O95067 1/20 0.43

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
SCHEMBL2544056 0.92 GSK3B (0.54) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL2541932 0.91 GSK3B (0.56) FLT3CCNE1CDK2GSK3BPDE5A
SCHEMBL2539352 0.87 CDK1 (0.61) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL2541357 0.83 CCNE1 (0.62) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL2542970 0.83 IKBKB (0.58) CCNE1CDK2GSK3B
SCHEMBL2538166 0.82 CDK2 (0.57) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL12263516 0.81 GSK3B (0.63) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL2540531 0.80 GSK3B (0.65) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL2542354 0.80 CCNT1 (0.56) FLT3CCNE1CDK2GSK3BCDK1
SCHEMBL2538181 0.80 FLT3 (0.65) FLT3CCNE1CDK2GSK3BCDK1

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 FLT3 388/4885CCNE1 1003/4885CDK2 89/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 FLT3 1182/4885CCNE1 3574/4885CDK2 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.