SCHEMBL377034

SCHEMBL377034

CC(C)(C)C1[C@H](Nc2cncc(Br)n2)CCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HCRTR2 O43614 11/20 0.34
HCRTR1 O43613 8/20 0.34
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL376384 0.78 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL3825299 0.77 PIM2 (0.44)
SCHEMBL14237447 0.77 PIM2 (0.44)
SCHEMBL376071 0.76 MAPK8 (0.37) HCRTR2HCRTR1
SCHEMBL376771 0.75 JAK3 (0.48) HCRTR2HCRTR1IRAK4
SCHEMBL376402 0.75 JAK3 (0.37) HCRTR2HCRTR1IRAK4
SCHEMBL376432 0.75 JAK3 (0.35) HCRTR2HCRTR1IRAK4
SCHEMBL1964412 0.74 JAK3 (0.38) HCRTR2HCRTR1IRAK4
SCHEMBL1120229 0.74 DPP4 (0.52) HCRTR1
SCHEMBL1919389 0.74 IRAK4 (0.37) HCRTR2HCRTR1IRAK4

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 3 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
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 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 (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 ALDH1A1 2651/4885HCRTR2 3784/4885HCRTR1 4031/4885

“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.