SCHEMBL4258499

SCHEMBL4258499

Cn1cc(-c2cnc(N)c(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK1 P06493 2/20 0.52
CDK2 P24941 2/20 0.52
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
PDPK1 O15530 1/20 0.52
CHEK2 O96017 2/20 0.50
ABL1 P00519 1/20 0.49
FABP6 P51161 1/20 0.49
MET P08581 3/20 0.47
METAP1 P53582 1/20 0.47
ESR1 P03372 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.46

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
SCHEMBL2681943 0.91 MAP4K4 (0.62) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2680839 0.86 CDK2 (0.62) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2680251 0.86 MAP4K4 (0.52) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL16390920 0.84 SLC2A1 (0.53) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2682252 0.84 SLC2A1 (0.51) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2680532 0.84 PKN1 (0.53) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2680942 0.83 CDK1 (0.70) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL4253781 0.82 CDK1 (0.52) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2680389 0.81 CDK1 (0.52) MAP4K4CDK1CDK2MKNK1MKNK2
SCHEMBL2680705 0.81 CDK1 (0.53) MAP4K4CDK1CDK2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MAP4K4 145/4885MEN1 1999/4885KMT2A 1075/4885

“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.