SCHEMBL12553535

SCHEMBL12553535

C[C@@H]1CNC[C@@H]1Nc1cncc(-c2cnc3cc(C#N)ccn23)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.45
NRAS P01111 2/20 0.39
IRAK4 Q9NWZ3 7/20 0.39
IRAK1 P51617 1/20 0.39
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IGF1R P08069 1/20 0.36
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL12553680 0.87 FLT3 (0.42) FLT3NRASIRAK4IRAK1PRMT5
SCHEMBL10238381 0.86 IRAK4 (0.40) FLT3NRASIRAK4IRAK1PRMT5
SCHEMBL10239830 0.85 FLT3 (0.59) FLT3NRASIRAK4IRAK1
SCHEMBL10239867 0.85 FLT3 (0.47) FLT3NRASIRAK4
SCHEMBL12553533 0.83 IRAK4 (0.55) FLT3NRASIRAK4IRAK1
SCHEMBL12553544 0.83 FLT3 (0.44) FLT3NRASIRAK4IRAK1PRMT5
SCHEMBL12553501 0.82 FLT3 (0.38) FLT3NRASIRAK4IRAK1PRMT5
SCHEMBL376866 0.82 IRAK4 (0.59) FLT3NRASIRAK4IRAK1
SCHEMBL376467 0.82 IRAK4 (0.58) FLT3IRAK4
SCHEMBL376466 0.82 IRAK4 (0.58) FLT3IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 496/4885NRAS 1025/4885IRAK4 816/4885

“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.