SCHEMBL2680641

SCHEMBL2680641

Cc1cccc2nc(-c3cc(-c4cccnc4)cnc3N)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.53
CDK2 P24941 2/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
PDPK1 O15530 1/20 0.53
FYN P06241 1/20 0.51
CHEK2 O96017 1/20 0.46
MAPT P10636 2/20 0.44
NPY5R Q15761 1/20 0.44
HTT P42858 1/20 0.44
ATR Q13535 2/20 0.43
CYP2A6 P11509 1/20 0.43
KIT P10721 2/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP11B1 P15538 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2681176 0.81 CDK1 (0.79) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL14090256 0.81 GUSB (0.43) MKNK1MKNK2FYNMAPTNPY5R
SCHEMBL2680242 0.81 MET (0.53) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5201245 0.80 KDM4E (0.59) MAPTNPY5RHTTCYP2A6KIT
SCHEMBL2680425 0.76 CDK1 (0.43) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680902 0.74 MET (0.44) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680849 0.74 MET (0.60)
SCHEMBL16835759 0.72 MAP4K4 (0.63) MKNK1MKNK2FYNCHEK2CYP2A6
SCHEMBL2681494 0.72 IKBKE (0.46) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL5120045 0.70 CDK1 (0.67) CDK1CDK2MKNK1MKNK2PDPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US claimed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US claimed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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 (1 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 CDK1 15/4885CDK2 10/4885MKNK1 782/4885

“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.