SCHEMBL2544980

SCHEMBL2544980

CCn1cc(-c2ccnc(Nc3cccc(O)c3)n2)c2ccnc(Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.47
KDR P35968 1/20 0.47
PTK2 Q05397 1/20 0.47
AURKB Q96GD4 1/20 0.47
CDK2 P24941 5/20 0.47
CDK4 P11802 3/20 0.47
SYK P43405 2/20 0.46
GSK3B P49841 4/20 0.45
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 1/20 0.44
MKNK2 Q9HBH9 2/20 0.44
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 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
SCHEMBL2540243 0.88 GSK3B (0.44) PLK1KDRPTK2AURKBCDK2
SCHEMBL2540708 0.84 CDK1 (0.56) KDRAURKBCDK2SYKGSK3B
SCHEMBL2543346 0.83 MKNK2 (0.51) PLK1KDRPTK2AURKBCDK2
SCHEMBL2539834 0.83 MKNK2 (0.62) PLK1KDRPTK2AURKBCDK2
SCHEMBL28787549 0.83 GSK3B (0.43) CDK2CDK4GSK3BCDK1CCNB1
SCHEMBL2536027 0.82 GSK3B (0.61) PLK1KDRPTK2AURKBCDK2
SCHEMBL2537277 0.82 CAMK2D (0.56) CDK2CDK1CCNB1CDK7CCNH
SCHEMBL2542794 0.82 CAMK2D (0.56) CDK2CDK1CCNB1CCNT1CCNA2
SCHEMBL27809436 0.82 GSK3B (0.44) CDK2GSK3BCDK1CCNB1MKNK2
SCHEMBL2540539 0.81 CCNT1 (0.55) PTK2CDK2SYKCDK1CCNB1

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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US claimed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 CN 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
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 CN 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 PLK1 42/4885KDR 872/4885PTK2 67/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 PLK1 582/4885KDR 3455/4885PTK2 36/4885

“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.