SCHEMBL3102887

SCHEMBL3102887

COc1nc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH2 P25021 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
BLM P54132 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
PMP22 Q01453 1/20 0.35
PIN1 Q13526 1/20 0.35
MERTK Q12866 1/20 0.35
KDM4E B2RXH2 2/20 0.33
S1PR4 O95977 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL9121830 0.87 ALDH1A1 (0.45) MAPTALDH1A1LMNATDP1MERTK
SCHEMBL3104937 0.84 CYP1A2 (0.44) MAPTALDH1A1BLMTDP1PIN1
SCHEMBL1123974 0.82 MAPT (0.39) MAPTALDH1A1LMNATDP1DCTPP1
SCHEMBL502077 0.82 MAPT (0.54) MAPTALDH1A1LMNABLMTDP1
SCHEMBL19171827 0.81 TSHR (0.38) MAPTLMNAPIN1KDM4ES1PR4
SCHEMBL1760966 0.78 MAPT (0.39) MAPTALDH1A1LMNACYP2C19BLM
SCHEMBL7077196 0.77 MAPT (0.43) MAPTALDH1A1TDP1DCTPP1SMN1; SMN2
SCHEMBL321260 0.77 MAPT (0.44) MAPTALDH1A1BLMTDP1PIN1
SCHEMBL10300242 0.77 MAPT (0.37) MAPTALDH1A1BLMTDP1PIN1
SCHEMBL3109527 0.77 MAPT (0.37) MAPTALDH1A1BLMTDP1PIN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469614-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-10-18 US disclosed
US-20140256747-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-09-11 US disclosed
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
EP-1303521-B1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-02-02 EP disclosed
EP-1074549-B1 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors HOFFMANN LA ROCHE (CH) 2003-11-19 EP disclosed
EP-1303521-A1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020045635-A1 Novel mGluR antagonists and a method for their synthesis HOFFMANN-LA ROCHE, INC. 2002-04-18 US disclosed
US-6369222-B1 NITRO- AND CYANO-1,2,4,5-TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES; BRAIN, EYE, MUSCULAR, PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-04-09 US disclosed
WO-2002006288-A1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
US-6218385-B1 FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS HOFFMANN-LA ROCHE INC. 2001-04-17 US disclosed
EP-1074549-A2 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 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 (3 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-20140256747-A1 Synthesis of Triazolopyrimidine Compounds DPYD, TYMS, TYMP MAPT 2096/4885ALDH1A1 1487/4885LMNA 4537/4885
US-20020045635-A1 Novel mGluR antagonists and a method for their synthesis GRM1, GRM5, GRM2 MAPT 3362/4885ALDH1A1 3041/4885LMNA 4553/4885
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR MAPT 4731/4885ALDH1A1 3357/4885LMNA 4373/4885

“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.