SCHEMBL10239096

SCHEMBL10239096

C[C@@H]1CCNC[C@@H]1Nc1cncc(-c2cnc3cc(Cl)ccn23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.54
IRAK4 Q9NWZ3 6/20 0.43
NRAS P01111 4/20 0.43
IRAK1 P51617 3/20 0.43
CDK7 P50613 4/20 0.40
CCNH P51946 4/20 0.40
LCK P06239 2/20 0.40
RET P07949 2/20 0.40
PDGFRB P09619 2/20 0.40
BLK P51451 2/20 0.40
SRPK1 Q96SB4 1/20 0.40
MNAT1 P51948 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
FGFR3 P22607 1/20 0.38
KDR P35968 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
SCHEMBL10239830 0.91 FLT3 (0.59) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL10239477 0.85 FLT3 (0.50) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL10239836 0.85 FLT3 (0.50) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL10239869 0.85 IRAK4 (0.59) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL376310 0.83 FLT3 (0.63) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL10239075 0.83 FLT3 (0.59) FLT3IRAK4NRASIRAK1FGFR3
SCHEMBL10239867 0.79 FLT3 (0.47) FLT3IRAK4NRASFGFR3KDR
SCHEMBL12553535 0.79 FLT3 (0.45) FLT3IRAK4NRASIRAK1
SCHEMBL24977141 0.77 FLT3 (0.57) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL27362520 0.77 FLT3 (0.57) FLT3IRAK4NRASIRAK1CDK7

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 816/4885NRAS 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.