SCHEMBL14929941

SCHEMBL14929941

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SYK P43405 1/20 0.42
GRM4 Q14833 2/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
BRAF P15056 1/20 0.40
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.39
NR3C1 P04150 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
SCHEMBL14910389 0.91 GRM4 (0.41) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14910387 0.91 GRM4 (0.41) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14928328 0.91 HPGD (0.44) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14928404 0.89 HPGD (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3345920 0.88 SYK (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14910059 0.88 SYK (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14928824 0.87 MAP3K8 (0.47) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14910328 0.86 GRM4 (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14928547 0.86 GRM4 (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14928829 0.86 MAP3K8 (0.41) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 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

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 HPGD 1481/4885ALDH1A1 1638/4885NPC1 1367/4885

“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.