SCHEMBL376708

SCHEMBL376708

CCO[C@H]1CCN(C(=O)O)C[C@@H]1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
DRD4 P21917 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM5 P08912 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRM1 P11229 1/20 0.39

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
SCHEMBL2857742 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL509084 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL509244 0.81 KMT2A (0.52) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL2851175 0.81 KDM4E (0.47) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL7293517 0.81 KDM4E (0.47) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL2851173 0.81 KDM4E (0.47) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL4484395 0.80 NPSR1 (0.46) MEN1KMT2AALDH1A1NPSR1DRD4
SCHEMBL4484399 0.80 NPSR1 (0.46) MEN1KMT2AALDH1A1NPSR1DRD4
SCHEMBL2848253 0.80 SMN1; SMN2 (0.42) MEN1KMT2ANPSR1DRD4
SCHEMBL2848250 0.80 SMN1; SMN2 (0.42) MEN1KMT2ANPSR1DRD4

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
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
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 EP 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 MEN1 1718/4885KMT2A 2100/4885ALDH1A1 2651/4885

“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.