SCHEMBL14929940

SCHEMBL14929940

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.61
MET P08581 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
BRAF P15056 1/20 0.41
RAB9A P51151 2/20 0.41
AHR P35869 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNIK Q9UKE5 1/20 0.40

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
SCHEMBL14908656 0.93 SYK (0.56) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL14908655 0.93 SYK (0.56) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL2713348 0.92 SYK (0.55) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL2713351 0.92 SYK (0.55) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL14910085 0.91 SYK (0.54) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL14923826 0.90 SYK (0.58) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL14909608 0.90 SYK (0.58) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL14908773 0.90 SYK (0.58) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL2715559 0.90 SYK (0.56) SYKMETALDH1A1CYP1A2CYP3A4
SCHEMBL14909407 0.90 SYK (0.58) SYKMETALDH1A1CYP1A2CYP3A4

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 SYK 1/4885MET 1354/4885ALDH1A1 1638/4885

“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.