SCHEMBL2540243

SCHEMBL2540243

CCn1cc(-c2ccnc(Nc3ccc(O)cc3)n2)c2ccnc(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
SYK P43405 1/20 0.44
PLK1 P53350 7/20 0.43
CDK2 P24941 5/20 0.43
CDK4 P11802 4/20 0.43
KDR P35968 1/20 0.43
PTK2 Q05397 1/20 0.43
AURKB Q96GD4 1/20 0.43
AURKA O14965 1/20 0.41
CCNA2 P20248 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40
EGFR P00533 3/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL2544980 0.88 PLK1 (0.47) GSK3BSYKPLK1CDK2CDK4
SCHEMBL27809436 0.88 GSK3B (0.44) GSK3BCDK2CDK1CCNB1MKNK2
SCHEMBL2540451 0.85 IKBKB (0.53) GSK3BCDK2CDK4CCNA2CCNT1
SCHEMBL2539843 0.84 ACVR1 (0.55) GSK3BSYKCDK2CDK4KDR
SCHEMBL2540053 0.83 GSK3B (0.50) GSK3BSYKPLK1CDK2CDK4
SCHEMBL2540523 0.83 ACVR1 (0.55) CDK2KDRPTK2AURKBAURKA
SCHEMBL28787549 0.82 GSK3B (0.43) GSK3BCDK2CDK4CCNT1CDK1
SCHEMBL2547228 0.81 BTK (0.51) SYKCDK2PTK2CCNA2CCNT1
SCHEMBL2540086 0.81 GSK3B (0.63) GSK3BPLK1KDRPTK2AURKB
SCHEMBL2543947 0.80 GSK3B (0.63) GSK3BSYKPLK1CDK2KDR

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 GSK3B 329/4885SYK 495/4885PLK1 42/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 GSK3B 263/4885SYK 292/4885PLK1 582/4885

“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.