SCHEMBL3366428

SCHEMBL3366428

Nc1ccnc(N2CCCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.40
TGFBR1 P36897 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
OPRD1 P41143 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29850240 0.82 IDH1 (0.48) PARP1CNR2TGFBR1KMT2AMEN1
SCHEMBL10275026 0.82 CCR1 (0.50) PARP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24135526 0.82 PARP1 (0.48) PARP1HSD17B10CNR2TGFBR1KMT2A
SCHEMBL15137791 0.81 PARP1 (0.46) PARP1CNR2KMT2AMEN1TSHR
SCHEMBL14540839 0.80 IDH1 (0.47) PARP1TGFBR1KMT2AMEN1TSHR
SCHEMBL24473869 0.80 ALDH1A1 (0.56) PARP1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31472025 0.79 GRIN2D (0.42) PARP1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL14923448 0.78 PARP1 (0.46) PARP1CNR2TGFBR1KMT2AMEN1
SCHEMBL20390816 0.78 ADRB1 (0.51) PARP1ALDH1A1
SCHEMBL19501391 0.78 IDH1 (0.46) PARP1HSD17B10CNR2TGFBR1KMT2A

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 12 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-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
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO 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 PARP1 333/4885GRIN2D 3047/4885GRIN3B 1653/4885

“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.