SCHEMBL14965715

SCHEMBL14965715

COc1cc(CCN)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.54
HTR2A P28223 5/20 0.43
HTR2C P28335 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL29528231 0.86 TAAR1 (0.62) TAAR1HTR2AHTR2C
SCHEMBL1048335 0.86 TAAR1 (0.62) TAAR1HTR2AHTR2C
SCHEMBL2595478 0.85 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNACYP2D6L3MBTL1
SCHEMBL2596015 0.85 CHEK1 (0.46) ALDH1A1MAPTLMNACYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL31069418 0.85 TAAR1 (0.60) TAAR1HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL27205013 0.85 TAAR1 (0.60) TAAR1HTR2AHTR2C
SCHEMBL15547796 0.84 TAAR1 (0.58) TAAR1HTR2AHTR2CALDH1A1CYP2D6
SCHEMBL14971342 0.83 CTSD (0.39) TAAR1ALDH1A1MAPTLMNACYP2D6
SCHEMBL19175434 0.82 LMNA (0.44) ALDH1A1MAPTLMNACYP2D6L3MBTL1
SCHEMBL9280470 0.82 TDP1 (0.44) ALDH1A1MAPTLMNACYP2D6L3MBTL1

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
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2017-08-31 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
US-9630931-B2 Pharmaceutically active pyrazine derivatives SENTINEL ONCOLOGY LIMITED (GB) 2017-04-25 US disclosed
EP-2780331-B1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LTD (GB) 2016-04-20 EP disclosed
EP-2780331-B1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LTD (GB) 2016-04-20 EP disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
US-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives SENTINEL ONCOLOGY LIMITED (GB) 2014-10-30 US disclosed
EP-2780331-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES Sentinel Oncology Limited (GB) 2014-09-24 EP disclosed
WO-2013072502-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES SENTINEL ONCOLOGY LIMITED (GB) 2013-05-23 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-20140323484-A1 Pharmaceutically Active Pyrazine Derivatives PHKG1, PHKG2, PLK2 TAAR1 2651/4885HTR2A 1292/4885HTR2C 766/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 TAAR1 2408/4885HTR2A 1009/4885HTR2C 485/4885

“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.