SCHEMBL376238

SCHEMBL376238

CC(C)(C)C1[C@H](Nc2cnc(C#N)c(-c3cnc4ccccn34)n2)CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.38
IGF1R P08069 6/20 0.38
MAPK8 P45983 4/20 0.37
MAPK9 P45984 4/20 0.37
JUN P05412 2/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
MAPK10 P53779 2/20 0.36
MARK3 P27448 1/20 0.36
HCRTR2 O43614 5/20 0.36
KCNH2 Q12809 3/20 0.35
CDK1 P06493 1/20 0.35
CDK8 P49336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
HCRTR1 O43613 2/20 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
SCHEMBL1922833 0.80 GFER (0.43) CDK2IGF1RMAPK8MAPK9JUN
SCHEMBL376792 0.79 IRAK4 (0.40) CDK2IGF1RMAPK8MAPK9JUN
SCHEMBL376771 0.79 JAK3 (0.48) IRAK4HCRTR2HCRTR1
SCHEMBL376302 0.77 IGF1R (0.39) CDK2IGF1RMAPK8MAPK9JUN
SCHEMBL376237 0.77 GFER (0.41) CDK2IGF1RMAPK8MAPK9JUN
SCHEMBL10238508 0.75 GFER (0.45) CDK2IGF1RMAPK8MAPK9JUN
SCHEMBL376071 0.75 MAPK8 (0.37) MAPK8MAPK9MAPK10HCRTR2HCRTR1
SCHEMBL1120229 0.75 DPP4 (0.52) HCRTR1
SCHEMBL1994795 0.73 EIF2AK4 (0.42) IRAK4
SCHEMBL1997370 0.73 EIF2AK4 (0.42) IRAK4

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 CDK2 157/4885IGF1R 688/4885MAPK8 274/4885

“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.