SCHEMBL376302

SCHEMBL376302

COc1ncc(-c2cnc3ccccn23)nc1N[C@@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.39
IRAK4 Q9NWZ3 6/20 0.38
CDK2 P24941 5/20 0.38
MAPK10 P53779 3/20 0.38
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
JUN P05412 1/20 0.38
PIK3CA P42336 1/20 0.37
KCNH2 Q12809 1/20 0.37
HCRTR2 O43614 3/20 0.36

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
SCHEMBL376792 0.90 IRAK4 (0.40) IGF1RIRAK4CDK2MAPK10MAPK8
SCHEMBL3230923 0.80 GFER (0.45) IGF1RIRAK4CDK2MAPK10MAPK8
SCHEMBL376384 0.78 HCRTR2 (0.36) HCRTR2
SCHEMBL376301 0.77 PIK3CD (0.42) IGF1RIRAK4CDK2MAPK10MAPK8
SCHEMBL376238 0.77 CDK2 (0.38) IGF1RIRAK4CDK2MAPK10MAPK8
SCHEMBL12553187 0.74 IRAK4 (0.41) IGF1RIRAK4CDK2MAPK10MAPK8
SCHEMBL376071 0.72 MAPK8 (0.37) MAPK10MAPK8MAPK9HCRTR2
SCHEMBL376803 0.72 IRAK4 (0.66) IRAK4MAPK8PIK3CA
SCHEMBL10239859 0.72 IRAK4 (0.64) IRAK4MAPK8
SCHEMBL376265 0.71 IRAK4 (0.34) IGF1RIRAK4CDK2MAPK10

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 IGF1R 688/4885IRAK4 816/4885CDK2 157/4885

“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.