SCHEMBL2476571

SCHEMBL2476571

Cc1ccccc1CNc1cc(Cl)ncc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 6/20 0.54
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
BRD4 O60885 2/20 0.47
KAT2B Q92831 1/20 0.47
JAK3 P52333 8/20 0.47
JAK2 O60674 7/20 0.47
JAK1 P23458 7/20 0.47
TYK2 P29597 6/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
MAPK8 P45983 1/20 0.45
STAT6 P42226 1/20 0.45
BRD9 Q9H8M2 1/20 0.43
MAP4K4 O95819 1/20 0.43
GSK3B P49841 1/20 0.43
CYP3A4 P08684 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL2474877 0.87 CD38 (0.54) CD38AURKARPS6KB1JAK3JAK2
SCHEMBL12280132 0.85 JAK3 (0.48) CD38RPS6KB1JAK3JAK2JAK1
SCHEMBL2477334 0.85 AURKA (0.51) CD38AURKARPS6KB1JAK3JAK2
SCHEMBL12280679 0.85 JAK3 (0.46) CD38AURKARPS6KB1JAK3JAK2
SCHEMBL12280485 0.84 STAT6 (0.47) CD38AURKARPS6KB1JAK3JAK2
SCHEMBL12280052 0.84 JAK3 (0.44) CD38AURKARPS6KB1JAK3JAK2
SCHEMBL2478353 0.84 KDM4E (0.57) AURKARPS6KB1JAK3JAK2JAK1
SCHEMBL12280110 0.83 JAK3 (0.50) CD38JAK3JAK2JAK1TYK2
SCHEMBL12454564 0.83 CD38 (0.44) CD38AURKARPS6KB1JAK3JAK2
SCHEMBL2482137 0.83 CD38 (0.47) CD38AURKARPS6KB1JAK3JAK2

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-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
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
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
CN-102227409-A Pyridine-3-carboxyamide derivative KOWA CO 2011-10-26 CN disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 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 (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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 CD38 1118/4885AURKA 477/4885RPS6KB1 1396/4885
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA CD38 3561/4885AURKA 971/4885RPS6KB1 3316/4885

“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.