SCHEMBL1922548

SCHEMBL1922548

FC(F)[C@@H]1C[C@@H](Nc2cncc(-c3cnc4cc(C(F)(F)F)ccn34)n2)CN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.42
IRAK4 Q9NWZ3 6/20 0.37
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
PIM1 P11309 4/20 0.33
KCNH2 Q12809 1/20 0.33
SSTR4 P31391 1/20 0.33
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NRAS P01111 1/20 0.32

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
SCHEMBL10239474 0.86 FLT3 (0.43) FLT3IRAK4EGFRBTKPIM1
SCHEMBL376488 0.84 IRAK4 (0.53) FLT3IRAK4
SCHEMBL376441 0.81 IRAK4 (0.54) FLT3IRAK4NRAS
SCHEMBL376445 0.80 IRAK4 (0.55) FLT3IRAK4PIM1NRAS
SCHEMBL10239503 0.75 FLT3 (0.46) FLT3IRAK4NRAS
SCHEMBL12553544 0.73 FLT3 (0.44) FLT3IRAK4PIM1NRAS
SCHEMBL10238527 0.72 FLT3 (0.56) FLT3IRAK4PIM1NRAS
SCHEMBL10239809 0.71 IRAK4 (0.56) FLT3IRAK4
SCHEMBL10238379 0.71 FLT3 (0.48) FLT3IRAK4NRAS
SCHEMBL24231683 0.70 IRAK4 (0.70) FLT3IRAK4NRAS

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 6 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
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 WO 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 FLT3 496/4885IRAK4 816/4885EGFR 750/4885

“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.