SCHEMBL3370530

SCHEMBL3370530

COc1ncc(N)cc1-c1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.47
PIK3CG P48736 1/20 0.45
MAPT P10636 2/20 0.39
CASP1 P29466 1/20 0.39
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
CYP1A2 P05177 8/20 0.37
CYP3A4 P08684 8/20 0.37
CYP2C19 P33261 7/20 0.37
CYP2D6 P10635 6/20 0.37
ALDH1A1 P00352 4/20 0.37
USP2 O75604 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
TSHR P16473 1/20 0.37
CYP2C9 P11712 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL2409093 0.78 MAPT (0.58) FYNPIK3CGMAPTCASP1AURKA
SCHEMBL31165734 0.76 AURKA (0.59) FYNMAPTCASP1AURKATTK
SCHEMBL3371961 0.76 MAPT (0.39) FYNPIK3CGMAPTCYP1A2CYP3A4
SCHEMBL23364099 0.73 DHFR (0.44) FYNMAPTCASP1AURKATTK
SCHEMBL3372563 0.73 ADORA2A (0.43) MAPTCASP1TTKALDH1A1USP2
SCHEMBL31049931 0.72 PIK3CG (0.41) FYNPIK3CGMAPTCYP1A2CYP3A4
SCHEMBL16043752 0.72 DHFR (0.49) FYNMAPTCASP1MEN1KMT2A
SCHEMBL20242383 0.70 IMPDH2 (0.48) FYNPIK3CGMAPTCYP1A2CYP3A4
SCHEMBL16094363 0.69 LRRK2 (0.53) CYP2C19CDK2
SCHEMBL4659255 0.69 DRD1 (0.40) PIK3CGMAPTCASP1AURKATTK

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 15 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-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-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
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
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 FYN 13/4885PIK3CG 771/4885MAPT 4186/4885

“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.