SCHEMBL14909193

SCHEMBL14909193

Nc1ccnc(-n2ccnn2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.40
NOTUM Q6P988 12/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
KEAP1 Q14145 1/20 0.39
MAP3K5 Q99683 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL1164215 0.79 NOTUM (0.53) EGLN2NOTUMKEAP1CYP19A1
SCHEMBL29850186 0.78 EGLN2 (0.40) EGLN2NOTUMKEAP1CYP19A1
SCHEMBL20214761 0.75 MAPK9 (0.40) EGLN2NOTUM
SCHEMBL2715150 0.74 GRM5 (0.46) NOTUMGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL10690116 0.74 EGLN2 (0.62) EGLN2NOTUMKEAP1
SCHEMBL20242767 0.71 NOTUM (0.41) EGLN2NOTUMGRIN2DGRIN3BCHRM1
SCHEMBL11958456 0.71 BACE1 (0.35) EGLN2NOTUMKEAP1CYP19A1
SCHEMBL14909322 0.71 GRIN2D (0.46) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL31359354 0.71 SMN1; SMN2 (0.46) NOTUMKEAP1MAP3K5
SCHEMBL503233 0.71 SMN1; SMN2 (0.46) NOTUMKEAP1MAP3K5

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302465-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES Vertex Pharmaceuticals Incorporated (US) 2018-04-11 EP claimed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO claimed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
EP-3302465-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES Vertex Pharmaceuticals Incorporated (US) 2018-04-11 EP disclosed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO disclosed
EP-3063138-A1 HETEROARYL SUBSTITUTED PYRAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-09-07 EP disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
CN-104903320-A Nitrogen-containing heterocylic compound or salt thereof FUJIFILM CORP 2015-09-09 CN disclosed
WO-2015063003-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 WO 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
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

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 EGLN2 3868/4885NOTUM 4306/4885GRIN2D 3047/4885

“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.