SCHEMBL376539

SCHEMBL376539

O=C(O)N1CC[C@@H](F)[C@H](Nc2cncc(-c3cnc4ccccn34)n2)C1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.40
MAPK8 P45983 5/20 0.40
MAPK9 P45984 4/20 0.40
CDK2 P24941 3/20 0.40
MAPK10 P53779 2/20 0.40
JUN P05412 2/20 0.40
FLT3 P36888 1/20 0.38
IGF1R P08069 1/20 0.37
PKM P14618 1/20 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
SCHEMBL377088 1.00 IRAK4 (0.40) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL3233009 0.78 MAPK8 (0.44) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL15203433 0.78 MAPK8 (0.44) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL376538 0.76 GRIN2B (0.44) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL377087 0.76 GRIN2B (0.44) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL376703 0.74 KIT (0.45) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL3230154 0.74 IRAK4 (0.47) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL3230955 0.74 IRAK4 (0.47) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL1923074 0.72 IRAK4 (0.48) IRAK4MAPK8MAPK9CDK2MAPK10
SCHEMBL376437 0.71 MAPK8 (0.43) IRAK4MAPK8MAPK9CDK2MAPK10

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.