SCHEMBL3378540

SCHEMBL3378540

COc1ncc(N)cc1-n1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.41
AURKA O14965 1/20 0.38
TTK P33981 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EGLN2 Q96KS0 3/20 0.33
CYP19A1 P11511 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33

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
SCHEMBL14909636 0.85 CYP19A1 (0.38) NOTUMEGLN2CYP19A1HCRTR1HCRTR2
SCHEMBL14910090 0.85 CYP19A1 (0.35) NOTUMALDH1A1EGLN2CYP19A1
SCHEMBL14928320 0.83 CYP19A1 (0.42) NOTUMMAPTCASP1ALDH1A1EGLN2
SCHEMBL14909053 0.80 NOTUM (0.42) NOTUMEGLN2CYP19A1
SCHEMBL14923470 0.79 NOTUM (0.39) NOTUMAURKATTKAURKBINCENP
SCHEMBL3378538 0.74 AURKA (0.38) AURKATTKAURKBINCENPMAPT
SCHEMBL1039243 0.71 NR4A1 (0.51) NOTUMMAPTALDH1A1HCRTR1HCRTR2
SCHEMBL14908653 0.71 TDO2 (0.38) NOTUMMAPTALDH1A1
SCHEMBL14910001 0.70 MAPT (0.35) AURKATTKAURKBINCENPMAPT
SCHEMBL14923452 0.70 NOTUM (0.40) NOTUMEGLN2CYP19A1HCRTR1HCRTR2

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 23 patents — showing the first 20. 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
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 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
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 WO 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
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 (2 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 NOTUM 4306/4885AURKA 2975/4885TTK 4329/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 NOTUM 3388/4885AURKA 3053/4885TTK 3682/4885

“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.