SCHEMBL2546286

SCHEMBL2546286

CCCn1cc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)c2ccnc(Cl)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.50
CDK2 P24941 4/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
ACVR1 Q04771 3/20 0.43
CDK9 P50750 3/20 0.42
AURKA O14965 2/20 0.42
CDK7 P50613 2/20 0.42
AURKB Q96GD4 2/20 0.42
BTK Q06187 2/20 0.42
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL2541381 0.91 FLT3 (0.46) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL2542034 0.87 FLT3 (0.55) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL2547228 0.85 BTK (0.51) CDK2CDK1CCNB1ACVR1CDK9
SCHEMBL2541867 0.82 FLT3 (0.55) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL2544631 0.79 JAK2 (0.52) FLT3CDK2CDK1CCNE1ACVR1
SCHEMBL2540201 0.79 CCNT1 (0.54) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL2546231 0.78 MKNK1 (0.48) FLT3CDK2CDK1ACVR1GSK3B
SCHEMBL2542008 0.78 BTK (0.51) FLT3CDK2CDK1ACVR1CDK9
SCHEMBL2540505 0.76 BTK (0.49) CDK2CDK1CCNB1CCNE1ACVR1
SCHEMBL8312321 0.76 PIK3CA (0.56) FLT3CDK2CDK1CCNB1CCNE1

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 5 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-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.