SCHEMBL2452376

SCHEMBL2452376

Nc1ccc(N2CCCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.56
CASP6 P55212 1/20 0.56
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
GAA P10253 5/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2450111 0.94 GFER (0.63) GFERCASP6MAPK1ALDH1A1MAPT
SCHEMBL30985174 0.82 USP2 (0.49) GFERCASP6MAPK1ALDH1A1MAPT
SCHEMBL2362329 0.81 GFER (0.63) GFERCASP6MAPK1ALDH1A1MAPT
SCHEMBL3548441 0.80 GFER (0.87) GFERCASP6MAPK1ALDH1A1MAPT
SCHEMBL25830890 0.79 GFER (0.49) GFERCASP6MAPK1ALDH1A1MAPT
SCHEMBL4177069 0.79 EGFR (0.46) ALDH1A1MAPTHTTUSP2TP53
SCHEMBL188121 0.78 GFER (0.68) GFERCASP6MAPK1ALDH1A1MAPT
SCHEMBL20570682 0.78 AKR1C3 (0.58) GFERCASP6MAPK1ALDH1A1GAA
SCHEMBL20639966 0.78 AKR1C3 (0.58) MAPK1ALDH1A1MAPTGAAKMT2A
SCHEMBL4985735 0.78 AKR1C3 (0.68) GFERCASP6MAPK1ALDH1A1MAPT

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 GFER 2383/4885CASP6 2640/4885MAPK1 184/4885

“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.