SCHEMBL376703

SCHEMBL376703

CO[C@H]1CCN(C(=O)O)C(Cc2ccccc2)[C@@H]1Nc1ccnc(-c2cnc3ccccn23)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.45
CDK2 P24941 8/20 0.41
MAPK8 P45983 5/20 0.41
IRAK4 Q9NWZ3 5/20 0.41
MAPK9 P45984 4/20 0.41
MAPK10 P53779 3/20 0.41
JUN P05412 2/20 0.41
IGF1R P08069 7/20 0.40
KCNH2 Q12809 2/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 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
SCHEMBL3234316 0.80 CDK2 (0.46) KITCDK2MAPK8IRAK4MAPK9
SCHEMBL376702 0.78 KIT (0.44) KITCDK2MAPK8IRAK4MAPK9
SCHEMBL377088 0.74 IRAK4 (0.40) CDK2MAPK8IRAK4MAPK9MAPK10
SCHEMBL376539 0.74 IRAK4 (0.40) CDK2MAPK8IRAK4MAPK9MAPK10
SCHEMBL12553163 0.72 IRAK4 (0.53) KITCDK2MAPK8IRAK4MAPK9
SCHEMBL23459270 0.70 ATM (0.45)
SCHEMBL23459370 0.70 ATM (0.45)
SCHEMBL1994913 0.64 ADORA2A (0.41) IRAK4
SCHEMBL1997321 0.64 KIT (0.64) KITCDK2MAPK8IRAK4MAPK9
SCHEMBL1997512 0.63 DYRK1A (0.52) KITCDK2IRAK4MAPK10

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 KIT 324/4885CDK2 157/4885MAPK8 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.