SCHEMBL10239826

SCHEMBL10239826

Cc1ncc(-c2cncc(N[C@@H]3CCNC3)n2)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.47
FLT3 P36888 13/20 0.45
NRAS P01111 9/20 0.45
IRAK1 P51617 5/20 0.45
MAOB P27338 1/20 0.41
HTR6 P50406 1/20 0.41
PDGFRB P09619 4/20 0.40
CDK7 P50613 4/20 0.40
CCNH P51946 4/20 0.40
LCK P06239 2/20 0.40
RET P07949 2/20 0.40
BLK P51451 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
CCNT1 O60563 1/20 0.39
BRD4 O60885 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
SCHEMBL10239064 0.94 IRAK4 (0.48) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL10239825 0.94 IRAK4 (0.46) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL10239801 0.87 CCNK (0.36) IRAK4FLT3NRASIRAK1CDK7
SCHEMBL10239073 0.80 IRAK4 (0.47) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376510 0.76 IRAK4 (0.78) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376677 0.76 IRAK4 (0.78) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL10239476 0.75 IRAK4 (0.57) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL10239807 0.74 IRAK4 (0.48) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL376897 0.74 FLT3 (0.60) IRAK4FLT3NRASIRAK1PDGFRB
SCHEMBL10238512 0.74 IRAK4 (0.45) 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.