SCHEMBL14928547

SCHEMBL14928547

C[C@H](N)[C@@H](C)Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.42
EGFR P00533 1/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 4/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL14910328 1.00 GRM4 (0.42) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14910389 0.87 GRM4 (0.41) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14910387 0.87 GRM4 (0.41) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14929941 0.86 HPGD (0.46) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14928328 0.85 HPGD (0.44) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14911225 0.84 JAK2 (0.39) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14911226 0.84 JAK2 (0.39) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14910059 0.84 SYK (0.43) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL3345920 0.84 SYK (0.43) GRM4EGFRJAK2JAK1ALDH1A1
SCHEMBL14929799 0.83 GRM4 (0.43) GRM4EGFRJAK2JAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK GRM4 2949/4885EGFR 980/4885JAK2 28/4885

“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.