SCHEMBL10239098

SCHEMBL10239098

c1ccn2c(-c3cncc(N[C@H]4CNC[C@H]4C4CC4)n3)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.56
FLT3 P36888 4/20 0.56
MAPK8 P45983 3/20 0.48
MAPK9 P45984 2/20 0.43
JUN P05412 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL376466 0.85 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9MAPK10
SCHEMBL10239799 0.85 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9
SCHEMBL376281 0.85 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9
SCHEMBL376467 0.85 IRAK4 (0.58) IRAK4FLT3MAPK8MAPK9MAPK10
SCHEMBL10238522 0.85 FLT3 (0.43) IRAK4FLT3MAPK8
SCHEMBL10238528 0.84 FLT3 (0.42) IRAK4FLT3
SCHEMBL10239879 0.83 FLT3 (0.60) IRAK4FLT3
SCHEMBL12553680 0.82 FLT3 (0.42) IRAK4FLT3MAPK8
SCHEMBL10239507 0.82 IRAK4 (0.55) IRAK4FLT3MAPK8MAPK9
SCHEMBL10239845 0.82 IRAK4 (0.55) IRAK4FLT3MAPK8MAPK9JUN

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
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO 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 816/4885FLT3 496/4885MAPK8 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.