SCHEMBL14910892

SCHEMBL14910892

COC(=O)c1cnc(-n2cccn2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
STING1 Q86WV6 1/20 0.40
P2RY12 Q9H244 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KAT6A Q92794 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15350756 0.85 LMNA (0.45) LMNAMAPTKDM4EHPGDCYP1A2
SCHEMBL21744582 0.85 LMNA (0.47) LMNAMAPTKDM4EHPGDCYP1A2
SCHEMBL3380687 0.85 LMNA (0.56) LMNAMAPTKDM4EHPGDCYP2C9
SCHEMBL15081321 0.82 POLB (0.46) POLBLMNAKDM4ECYP1A2CYP2C19
SCHEMBL15081359 0.82 POLB (0.41) POLBLMNAKDM4ECYP1A2CYP2C19
SCHEMBL24921598 0.76 KDM4E (0.38) MAPTKDM4EHPGDCYP1A2CYP2C19
SCHEMBL15081334 0.76 POLB (0.40) POLBLMNAMAPTKDM4ECYP1A2
SCHEMBL14909898 0.74 KEAP1 (0.39) POLBLMNAMAPTKDM4ECYP2C9
SCHEMBL13822152 0.74 MAPT (0.37) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL63835 0.74 LMNA (0.69) LMNAMAPTKDM4EHPGDCYP1A2

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 13 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

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 POLB 4026/4885LMNA 3649/4885MAPT 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.