SCHEMBL376792

SCHEMBL376792

Cc1ncc(-c2cnc3ccccn23)nc1N[C@@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.40
MAPK8 P45983 5/20 0.40
MAPK9 P45984 4/20 0.40
CDK2 P24941 4/20 0.40
MAPK10 P53779 3/20 0.40
JUN P05412 2/20 0.40
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
IGF1R P08069 2/20 0.37
FLT3 P36888 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
KCNH2 Q12809 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
SCHEMBL376302 0.90 IGF1R (0.39) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL15203526 0.79 GFER (0.47) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL376238 0.79 CDK2 (0.38) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL376071 0.76 MAPK8 (0.37) MAPK8MAPK9MAPK10
SCHEMBL376791 0.75 PIM1 (0.46) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL376265 0.73 IRAK4 (0.34) IRAK4CDK2MAPK10IGF1RFLT3
SCHEMBL1993984 0.72 JAK2 (0.40)
SCHEMBL17536555 0.71 HCRTR1 (0.39)
SCHEMBL17536542 0.71 DRD2 (0.42)
SCHEMBL376793 0.70 IRAK4 (0.69) IRAK4MAPK8MAPK9FLT3

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 IRAK4 816/4885MAPK8 274/4885MAPK9 191/4885

“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.