SCHEMBL10238530

SCHEMBL10238530

COC[C@@H]1C[C@@H](Nc2cncc(-c3cnc4cc(C)ccn34)n2)CN1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.53
NRAS P01111 3/20 0.37
IRAK4 Q9NWZ3 5/20 0.37
KDR P35968 5/20 0.36
CSF1R P07333 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 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
SCHEMBL10239521 0.92 FLT3 (0.52) FLT3NRASIRAK4GABRG2GABRB3
SCHEMBL10239886 0.91 FLT3 (0.53) FLT3NRASIRAK4KDRCSF1R
SCHEMBL376827 0.91 FLT3 (0.51) FLT3NRASIRAK4GABRG2GABRB3
SCHEMBL10239089 0.90 FLT3 (0.48) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10238379 0.90 FLT3 (0.48) FLT3NRASIRAK4KDRCSF1R
SCHEMBL12553537 0.89 FLT3 (0.47) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10239824 0.87 IRAK4 (0.51) FLT3IRAK4
SCHEMBL10239870 0.86 FLT3 (0.56) FLT3NRASIRAK4KDRCSF1R
SCHEMBL10239866 0.84 FLT3 (0.54) FLT3NRASIRAK4KDRCSF1R
SCHEMBL376386 0.82 IRAK4 (0.43) FLT3NRASIRAK4

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 496/4885NRAS 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.