SCHEMBL10239885

SCHEMBL10239885

FC(F)(F)c1ccc2ncc(-c3cncc(NC4CNCCC4(F)F)n3)n2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 14/20 0.40
FLT3 P36888 5/20 0.39
IRAK4 Q9NWZ3 4/20 0.39
IRAK1 P51617 2/20 0.39
NRAS P01111 2/20 0.39
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
CDK7 P50613 1/20 0.38
BLK P51451 1/20 0.38
CCNH P51946 1/20 0.38
SRPK1 Q96SB4 1/20 0.38

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
SCHEMBL10239868 0.87 FLT3 (0.53) FLT3IRAK4IRAK1NRASLCK
SCHEMBL376271 0.83 IRAK4 (0.57) FLT3IRAK4IRAK1NRASLCK
SCHEMBL10239506 0.83 IRAK4 (0.52) FLT3IRAK4IRAK1NRAS
SCHEMBL376047 0.83 IRAK4 (0.52) FLT3IRAK4IRAK1NRAS
SCHEMBL10238520 0.83 IRAK4 (0.52) FLT3IRAK4IRAK1NRAS
SCHEMBL10239890 0.83 IRAK4 (0.57) FLT3IRAK4IRAK1NRASLCK
SCHEMBL376565 0.81 FLT3 (0.58) FLT3IRAK4IRAK1NRASLCK
SCHEMBL24231347 0.80 FLT3 (0.49) FLT3IRAK4IRAK1NRASLCK
SCHEMBL30621278 0.80 FLT3 (0.49) FLT3IRAK4IRAK1NRASLCK
SCHEMBL25990959 0.80 FLT3 (0.49) FLT3IRAK4IRAK1NRASLCK

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
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 EIF2AK4 233/4885FLT3 496/4885IRAK4 816/4885

“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.