SCHEMBL10238535

SCHEMBL10238535

C[C@H](O)COc1ccn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.51
IRAK4 Q9NWZ3 6/20 0.50
NRAS P01111 6/20 0.45
CSF1R P07333 5/20 0.44
KDR P35968 4/20 0.44
PDGFRB P09619 3/20 0.44
CDK7 P50613 3/20 0.44
IRAK1 P51617 3/20 0.44
CCNH P51946 3/20 0.44
LCK P06239 2/20 0.44
RET P07949 2/20 0.44
BLK P51451 1/20 0.44
SRPK1 Q96SB4 1/20 0.44

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
SCHEMBL24975937 0.90 IRAK4 (0.51) FLT3IRAK4NRASCSF1RKDR
SCHEMBL24976035 0.88 FLT3 (0.54) FLT3IRAK4NRASCSF1RKDR
SCHEMBL24231303 0.88 FLT3 (0.54) FLT3IRAK4NRASCSF1RKDR
SCHEMBL376164 0.88 FLT3 (0.66) FLT3IRAK4NRASCSF1RKDR
SCHEMBL386046 0.88 FLT3 (0.51) FLT3IRAK4NRASCSF1RKDR
SCHEMBL386045 0.88 FLT3 (0.51) FLT3IRAK4NRASCSF1RKDR
SCHEMBL10238387 0.88 FLT3 (0.53) FLT3IRAK4NRASCSF1RKDR
SCHEMBL10239909 0.87 IRAK4 (0.52) FLT3IRAK4NRASCSF1RKDR
SCHEMBL10239823 0.86 FLT3 (0.52) FLT3IRAK4NRASCSF1RKDR
SCHEMBL24975938 0.85 IRAK4 (0.53) FLT3IRAK4NRASCSF1RKDR

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
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 816/4885NRAS 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.