SCHEMBL2538166

SCHEMBL2538166

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.57
FLT3 P36888 3/20 0.57
CCNE1 P24864 3/20 0.57
GSK3B P49841 2/20 0.55
CCND1 P24385 2/20 0.51
CDK6 Q00534 2/20 0.51
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
MNAT1 P51948 1/20 0.47
SYK P43405 11/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
CCNA2 P20248 1/20 0.45

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 0.83 FLT3 (0.68) CDK2FLT3CCNE1GSK3BCDK1
SCHEMBL2539482 0.82 FLT3 (0.57) CDK2FLT3CCNE1GSK3BCDK1
SCHEMBL2540531 0.82 GSK3B (0.65) CDK2FLT3CCNE1GSK3BCDK1
SCHEMBL2541381 0.81 FLT3 (0.46) CDK2FLT3CCNE1GSK3BCCND1
SCHEMBL12263516 0.81 GSK3B (0.63) CDK2FLT3CCNE1GSK3BCDK1
SCHEMBL2538181 0.80 FLT3 (0.65) CDK2FLT3CCNE1GSK3BCDK1
SCHEMBL2538373 0.80 GSK3B (0.57) CDK2FLT3CCNE1GSK3B
SCHEMBL2544054 0.79 CCNT1 (0.54) CDK2FLT3GSK3BCDK1CCNB1
SCHEMBL2542426 0.79 SYK (0.46) CDK2FLT3CCNE1GSK3BCDK1
SCHEMBL2541111 0.79 FLT3 (0.81) CDK2FLT3CCNE1GSK3BCDK1

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 CDK2 89/4885FLT3 388/4885CCNE1 1003/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CDK2 420/4885FLT3 1182/4885CCNE1 3574/4885

“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.