SCHEMBL10238348

SCHEMBL10238348

CCc1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.54
FLT3 P36888 17/20 0.51
NRAS P01111 10/20 0.51
IRAK1 P51617 5/20 0.47
PDGFRB P09619 3/20 0.46
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
LCK P06239 1/20 0.46
RET P07949 1/20 0.46
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
DDR1 Q08345 1/20 0.45
NTRK3 Q16288 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL376114 0.94 IRAK4 (0.55) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376715 0.87 FLT3 (0.65) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376585 0.85 FLT3 (0.68) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL10238526 0.85 IRAK4 (0.57) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL12553533 0.83 IRAK4 (0.55) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376441 0.83 IRAK4 (0.54) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL24977195 0.82 FLT3 (0.56) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376510 0.82 IRAK4 (0.78) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376677 0.82 IRAK4 (0.78) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376342 0.82 FLT3 (0.63) IRAK4FLT3NRASIRAK1PDGFRB

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 4 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
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 496/4885NRAS 1025/4885

“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.