SCHEMBL14968865

SCHEMBL14968865

COc1cc(CCN(CC2CCN(C(=O)O)CC2)C(=O)OC(C)(C)C)c(Cl)cc1N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.41
ACHE P22303 8/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 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
SCHEMBL14965437 0.93 HTR4 (0.41) HTR4ACHE
SCHEMBL14968762 0.86 EPHX2 (0.38) HTR4MEN1ALDH1A1KMT2A
SCHEMBL14968763 0.86 EPHX2 (0.38) HTR4MEN1ALDH1A1KMT2A
SCHEMBL14965473 0.80 EPHX2 (0.43) HTR4ALDH1A1
SCHEMBL14968860 0.78 CHEK1 (0.57)
SCHEMBL2589855 0.75 HTR4 (0.36) HTR4
SCHEMBL14965412 0.75 CHEK1 (0.41) HTR4MEN1KMT2A
SCHEMBL2589853 0.74 SMN1; SMN2 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL29287711 0.73 BCHE (0.39)
SCHEMBL14965514 0.72 HTR4 (0.37) HTR4ACHEALDH1A1

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 6 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-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
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 HTR4 933/4885ACHE 3972/4885MEN1 2168/4885
US-20170247341-A1 PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES PHKG1, PHKG2, PEAK1 HTR4 775/4885ACHE 4049/4885MEN1 1807/4885

“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.