SCHEMBL1970023

SCHEMBL1970023

C[C@@H](O)[C@H](C)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
OPRD1 P41143 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1969997 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL6408772 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
Bromide SCHEMBL28851069 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
Hydrochloric Acid SCHEMBL28245775 0.84 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL2484461 0.81 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL9735269 0.80 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL11673762 0.80 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL5617 0.79
SCHEMBL8373239 0.79 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACHRM5CHRM3
SCHEMBL13667433 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013208-B1 PYRIDIN[3,4-B]PYRAZINONES PFIZER PROD INC (US) 2011-06-22 EP disclosed
US-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US disclosed
EP-2013208-A1 PYRIDIN[3,4-B]PYRAZINONES Pfizer Products Inc. (US) 2009-01-14 EP disclosed
WO-2007122466-A1 PYRIDINE[3,4-B]PYRAZINONES PFIZER PRODUCTS INC. (US) 2007-11-01 WO disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 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-20070249615-A1 Pyridine [3,4-b] Pyrazinones CYP2B6, CYP2D6, CYP4B1 SMN1; SMN2 1974/4885MEN1 1438/4885KMT2A 1838/4885

“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.