SCHEMBL376183

SCHEMBL376183

CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 13/20 0.49
SYK P43405 1/20 0.47
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IDH1 O75874 1/20 0.42
FLT3 P36888 1/20 0.42
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 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
SCHEMBL31000122 0.88 EIF2AK4 (0.43) EIF2AK4SYKHDAC4HDAC6FLT3
SCHEMBL3237453 0.88 EIF2AK4 (0.49) EIF2AK4FLT3EGFRBTK
SCHEMBL10239065 0.85 MAPK8 (0.48) SYKIDH1FLT3EGFRBTK
SCHEMBL376422 0.84 FLT3 (0.53) EIF2AK4FLT3EGFRBTK
SCHEMBL376423 0.84 FLT3 (0.53) EIF2AK4FLT3EGFRBTK
SCHEMBL12552862 0.83 IRAK4 (0.47) EIF2AK4HDAC4HDAC6FLT3EGFR
SCHEMBL24231691 0.82 SYK (0.43) EIF2AK4SYKHDAC4HDAC6IDH1
SCHEMBL24976599 0.81 SYK (0.39) SYKIDH1FLT3EGFRBTK
SCHEMBL24975906 0.81 SYK (0.39) SYKIDH1FLT3EGFRBTK
SCHEMBL376257 0.80 IRAK4 (0.45) HDAC4HDAC6FLT3USP30

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 5 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
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 EIF2AK4 233/4885SYK 1553/4885HDAC4 1035/4885

“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.