SCHEMBL2445862

SCHEMBL2445862

O=C(O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47
MAPK10 P53779 4/20 0.47
MAPK9 P45984 2/20 0.47
KDM4C Q9H3R0 3/20 0.46
AURKA O14965 1/20 0.46
MAPK8 P45983 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SYK P43405 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM6B O15054 1/20 0.44
JAK3 P52333 2/20 0.44
FLT3 P36888 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
STAT6 P42226 1/20 0.43
MEN1 O00255 1/20 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
SCHEMBL2480283 0.92 MAPK9 (0.54) MAPK10MAPK9SYKJAK3JAK2
SCHEMBL12301751 0.91 MAPK9 (0.55) MAPK10MAPK9SYKJAK3JAK2
SCHEMBL2444725 0.88 MAPT (0.55) KDM4EMAPK10MAPK9HSD17B10SYK
SCHEMBL2485932 0.87 MAPK9 (0.56) MAPK10MAPK9SYKJAK3JAK2
SCHEMBL2448056 0.83 MAPT (0.57) KDM4EMAPK10MAPK9HSD17B10SYK
SCHEMBL2448824 0.80 STAT6 (0.64) MAPK10MAPK9JAK3JAK2JAK1
SCHEMBL2695501 0.79 SYK (0.54) KDM4ESYKJAK3JAK2JAK1
SCHEMBL2696642 0.79 SYK (0.67) SYK
SCHEMBL2480813 0.78 SYK (0.64) MAPK10MAPK9SYKJAK3JAK2
SCHEMBL2481402 0.78 MAPK10 (0.53) MAPK10MAPK9SYKJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US 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-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA KDM4E 1516/4885ASPH 4597/4885RIOX2 4734/4885

“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.