SCHEMBL376393

SCHEMBL376393

COc1ccc2c(-c3cncc(N[C@@H]4CCCNC4)n3)cnn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NRAS P01111 5/20 0.42
FLT3 P36888 10/20 0.42
CDK7 P50613 3/20 0.42
CCNH P51946 3/20 0.42
CCNT1 O60563 1/20 0.42
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
IRAK4 Q9NWZ3 7/20 0.41
IKBKB O14920 1/20 0.40
IRAK1 P51617 3/20 0.39
LCK P06239 2/20 0.39
RET P07949 2/20 0.39
PDGFRB P09619 2/20 0.39
BLK P51451 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
MKNK1 Q9BUB5 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
SCHEMBL10238301 1.00 NRAS (0.42) NRASFLT3CDK7CCNHCCNT1
SCHEMBL10238356 0.85 IRAK4 (0.52) NRASFLT3CDK7CCNHCCNT1
SCHEMBL10239873 0.85 CCNT1 (0.44) NRASFLT3CDK7CCNHCCNT1
SCHEMBL376442 0.84 IRAK4 (0.53) NRASFLT3CDK7CCNHCCNT1
SCHEMBL2361493 0.81 CCNT1 (0.61) FLT3CDK7CCNHCCNT1CCNK
SCHEMBL376718 0.81 CCNT1 (0.45) FLT3CDK7CCNHCCNT1CCNK
SCHEMBL376042 0.81 CCNT1 (0.61) FLT3CDK7CCNHCCNT1CCNK
SCHEMBL376719 0.81 CCNT1 (0.45) FLT3CDK7CCNHCCNT1CCNK
SCHEMBL10239515 0.80 CCNT1 (0.40) NRASFLT3CDK7CCNHCCNT1
SCHEMBL1923562 0.79 FLT3 (0.50) NRASFLT3CDK7CCNHCCNT1

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
US-8518952-B2 6 substituted 2-heterocyclylamino pyrazine compounds as CHK-1 inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
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

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 NRAS 1025/4885FLT3 496/4885CDK7 314/4885

“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.