SCHEMBL10239823

SCHEMBL10239823

CC(C)(C)CCOc1ccn2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.52
IRAK4 Q9NWZ3 4/20 0.51
KDR P35968 9/20 0.48
CSF1R P07333 8/20 0.48
NRAS P01111 3/20 0.46
LCK P06239 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
CDK7 P50613 1/20 0.45
BLK P51451 1/20 0.45
IRAK1 P51617 1/20 0.45
CCNH P51946 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
KIT P10721 2/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL10239909 0.90 IRAK4 (0.52) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL376164 0.89 FLT3 (0.66) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL386046 0.89 FLT3 (0.51) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL386045 0.89 FLT3 (0.51) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL10238535 0.86 FLT3 (0.51) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL24975937 0.86 IRAK4 (0.51) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL24976035 0.85 FLT3 (0.54) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL24231303 0.85 FLT3 (0.54) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL24976585 0.85 IRAK4 (0.55) FLT3IRAK4KDRCSF1RNRAS
SCHEMBL10239907 0.84 FLT3 (0.53) FLT3IRAK4KDRCSF1RNRAS

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 FLT3 496/4885IRAK4 816/4885KDR 821/4885

“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.