SCHEMBL14804259

SCHEMBL14804259

CNC(=O)c1ccc(C#N)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
EGLN1 Q9GZT9 1/20 0.50
MTOR P42345 1/20 0.45
CHRM2 P08172 1/20 0.44
GRM5 P41594 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 5/20 0.43
LRRK2 Q5S007 1/20 0.42
BACE2 Q9Y5Z0 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL15922805 0.84 EGLN1 (0.51) EGLN1CHRM2GRM5SIGMAR1TMPRSS4
SCHEMBL20575339 0.83 EGLN1 (0.54) EGLN1TMPRSS4MEN1KMT2ABACE1
SCHEMBL22099890 0.82 EGLN1 (0.47) EGLN1CHRM2GRM5SIGMAR1TMPRSS4
SCHEMBL31212690 0.81 TAS1R3 (0.56) EGLN1TMPRSS4MEN1KMT2ABACE1
SCHEMBL10638643 0.80 EGLN1 (0.47) EGLN1CHRM2GRM5SIGMAR1TMPRSS4
SCHEMBL1061737 0.80 ALDH1A1 (0.45) EGLN1CHRM2GRM5SIGMAR1TMPRSS4
SCHEMBL991150 0.79 MAPK1 (0.59) EGLN1CHRM2GRM5SIGMAR1EGLN2
SCHEMBL30546439 0.79 MAPK1 (0.59) EGLN1CHRM2GRM5SIGMAR1EGLN2
SCHEMBL20623058 0.79 RAB9A (0.62) EGLN1BACE1
Hydrochloric Acid SCHEMBL22711353 0.79 EGLN1 (0.46) EGLN1CHRM2GRM5SIGMAR1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233834-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2019-11-13 EP disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 WO disclosed
EP-3008065-B1 4-AMINO-6-PHENYL-6,7-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2019-01-30 EP disclosed
US-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
US-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
US-9845326-B2 Substituted 3,4-dihydropyrrolo[1,2-A]pyrazines as beta-secretase (BACE) inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-12-19 US disclosed
US-9840507-B2 5,6-dihydro-imidazo[1,2-a]pyrazin-8-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, NV (BE) 2017-12-12 US disclosed
US-9834559-B2 4-Amino-6-phenyl-5,6-dihydroimidazo[1,5-a]pyrazin-3(2H)-one derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-12-05 US disclosed
US-9834559-B2 4-Amino-6-phenyl-5,6-dihydroimidazo[1,5-a]pyrazin-3(2H)-one derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-12-05 US disclosed
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
US-20140343048-A1 6-DIFLUOROMETHYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-11-20 US disclosed
EP-2588466-B1 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-03-19 EP disclosed
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-10-17 US disclosed
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-10-17 US disclosed
WO-2013083557-A1 6-DIFLUOROMETHYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 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 (5 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-20140343048-A1 6-DIFLUOROMETHYL-5,6-DIHYDRO-2H-[1,4]OXAZIN-3-AMINE DERIVATIVES BACE2, BACE1, PSEN2 AR 4679/4885EGLN1 4272/4885MTOR 2222/4885
US-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP AR 4410/4885EGLN1 4380/4885MTOR 246/4885
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 AR 4622/4885EGLN1 4779/4885MTOR 1560/4885
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 AR 4675/4885EGLN1 4183/4885MTOR 2340/4885
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 AR 4593/4885EGLN1 4636/4885MTOR 1714/4885

“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.