SCHEMBL376805

SCHEMBL376805

C[C@@H]1CNC[C@@H]1Nc1cncc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 3/20 0.42
SIK2 Q9H0K1 3/20 0.42
SIK3 Q9Y2K2 3/20 0.42
ABL1 P00519 2/20 0.42
CSF1R P07333 2/20 0.42
LYN P07948 2/20 0.42
PRKAB2 O43741 1/20 0.42
TGFBR1 P36897 1/20 0.42
TGFBR2 P37173 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
FGFR1 P11362 8/20 0.42
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
CREBBP Q92793 1/20 0.39
IRAK1 P51617 1/20 0.39
FLT1 P17948 1/20 0.38
FGFR2 P21802 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
SCHEMBL376806 1.00 SIK1 (0.42) SIK1SIK2SIK3ABL1CSF1R
SCHEMBL10239102 0.75 FLT3 (0.48) SIK2SIK3PRKAG1PRKAA1FGFR1
SCHEMBL10239864 0.75 FLT3 (0.49) ABL1CSF1RRETIRAK1FLT4
SCHEMBL17476782 0.67 SIK1 (0.55) SIK1SIK2SIK3ABL1CSF1R
SCHEMBL12584133 0.67 IRAK4 (0.70) FGFR1IRAK4NRASFLT3
SCHEMBL12553714 0.66 IRAK4 (0.51) FGFR1IRAK4
SCHEMBL16150410 0.66 FGFR1 (0.54) SIK1SIK2SIK3ABL1CSF1R
SCHEMBL16150784 0.66 FGFR1 (0.51) SIK1SIK2SIK3ABL1CSF1R
SCHEMBL25762470 0.66 IRAK4 (0.53) SIK1SIK2SIK3ABL1CSF1R
SCHEMBL25762577 0.66 IRAK4 (0.53) SIK1SIK2SIK3ABL1CSF1R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
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
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 SIK1 16/4885SIK2 18/4885SIK3 110/4885

“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.