SCHEMBL2541111

SCHEMBL2541111

CCCn1cc(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)c2cccnc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.81
CDK2 P24941 8/20 0.67
CDK1 P06493 5/20 0.67
CCNE1 P24864 4/20 0.67
CCNB1 P14635 3/20 0.67
GSK3B P49841 3/20 0.55
CDK7 P50613 6/20 0.53
AURKA O14965 4/20 0.53
CDK9 P50750 4/20 0.53
AURKB Q96GD4 4/20 0.53
CDK4 P11802 3/20 0.53
IGF1R P08069 2/20 0.53
WEE1 P30291 2/20 0.53
ALK Q9UM73 2/20 0.53
JAK2 O60674 2/20 0.53
CHEK1 O14757 1/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53

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
SCHEMBL2540718 0.91 FLT3 (0.68) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2538181 0.90 FLT3 (0.65) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2547216 0.87 FLT3 (0.61) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2545035 0.86 FLT3 (0.60) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL4518391 0.83 FLT3 (1.00) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2539201 0.82 GSK3B (0.66) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2537269 0.82 FLT3 (0.59) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2547226 0.79 FLT3 (0.67) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2538166 0.79 CDK2 (0.57) FLT3CDK2CDK1CCNE1CCNB1
SCHEMBL2542799 0.79 FLT3 (0.55) FLT3CDK2CDK1CCNE1CCNB1

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 388/4885CDK2 89/4885CDK1 129/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 FLT3 1182/4885CDK2 420/4885CDK1 465/4885

“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.