SCHEMBL376384

SCHEMBL376384

COc1ncc(Br)nc1N[C@@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.36
EDNRA P25101 5/20 0.35
CCR4 P51679 5/20 0.34
HCRTR1 O43613 1/20 0.33
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL376302 0.78 IGF1R (0.39) HCRTR2
SCHEMBL377034 0.78 ALDH1A1 (0.34) HCRTR2HCRTR1
SCHEMBL15203442 0.75 EGFR (0.46)
SCHEMBL3825299 0.75 PIM2 (0.44)
SCHEMBL14237447 0.75 PIM2 (0.44)
SCHEMBL2128328 0.73 KMT2A (0.46) HCRTR2HCRTR1
SCHEMBL3826467 0.72 PIM1 (0.41)
SCHEMBL17075698 0.72 LDHA (0.37) HCRTR2HCRTR1
SCHEMBL17536555 0.72 HCRTR1 (0.39) HCRTR2HCRTR1
SCHEMBL17536542 0.71 DRD2 (0.42) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB HCRTR2 3784/4885EDNRA 4249/4885CCR4 1717/4885

“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.