SCHEMBL14909654

SCHEMBL14909654

COCCn1nc(C)c2ccc(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
SCN9A Q15858 1/20 0.44
KMO O15229 1/20 0.43
GLS O94925 1/20 0.41
MPO P05164 1/20 0.38
REN P00797 5/20 0.38
SLC22A12 Q96S37 4/20 0.35
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HCAR3 P49019 1/20 0.34
JAK2 O60674 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL30860430 1.00 ADORA2A (0.44) ADORA2AADORA2BSCN9AKMOGLS
SCHEMBL14908650 0.88 ADORA2A (0.44) ADORA2AADORA2BSCN9AKMOGLS
SCHEMBL3376840 0.83 ADORA2A (0.47) ADORA2AADORA2BKMOGLSSLC22A12
SCHEMBL14928200 0.83 ADORA2A (0.65) ADORA2AADORA2BKMOGLSSLC22A12
SCHEMBL14547724 0.80 ADORA2A (0.39) ADORA2AADORA2BKMOGLSREN
SCHEMBL14910374 0.80 ADORA2A (0.62) ADORA2AADORA2BKMOGLSSLC22A12
SCHEMBL30615450 0.79 ADORA2A (0.41) ADORA2AADORA2BSCN9AKMOGLS
SCHEMBL28495400 0.79 ADORA2A (0.41) ADORA2AADORA2BSCN9AKMOGLS
SCHEMBL19597355 0.78 GLS (0.66) ADORA2AADORA2BSCN9AGLSMPO
SCHEMBL14908867 0.77 CNR2 (0.46) ADORA2AADORA2BKMOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
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-8772320-B2 2014-07-08 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
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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 ADORA2A 587/4885ADORA2B 683/4885SCN9A 885/4885

“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.