SCHEMBL4372136

SCHEMBL4372136

CN1C=CNc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.36
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.31
PTPN1 P18031 1/20 0.31
BRD4 O60885 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
SCHEMBL5943420 0.77 BRPF1 (0.38) BRPF1GAASMN1; SMN2KMT2AMAOA
SCHEMBL8333405 0.76 GAA (0.31) GAASMN1; SMN2
SCHEMBL3120276 0.74 GAA (0.31) GAASMN1; SMN2
SCHEMBL7345762 0.74 GAA (0.34) GAASMN1; SMN2
SCHEMBL1598178 0.74 GAA (0.31) GAASMN1; SMN2
SCHEMBL7603127 0.72
SCHEMBL22505286 0.70 MAOA (0.42) BRPF1GAAKMT2AMAOA
SCHEMBL24458214 0.70 NOX1 (0.32)
SCHEMBL8338720 0.69 GAA (0.32) GAASMN1; SMN2
SCHEMBL8336770 0.69 GAA (0.32) BRPF1GAASMN1; SMN2

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
WO-2022109329-A1 TRICYCLIC COMPOUNDS AND RELATED COMPOSITIONS, ZINC ELECTROCHEMICAL CELLS, BATTERIES, METHODS AND SYSTEMS ALIONYX ENERGY SYSTEMS (US) 2022-05-27 WO disclosed
EP-2170975-B1 COMPOSITIONS AND METHODS FOR PRODUCING CELLULAR LABELS FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES UNIV CARNEGIE MELLON (US) 2018-05-02 EP disclosed
US-8227610-B2 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (US) 2012-07-24 US disclosed
US-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques CARNEGIE MELLON UNIVERSITY (US) 2009-03-19 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-20090074673-A1 Compositions and methods for producing cellular labels for nuclear magnetic resonance techniques NES, MKI67, CD68 BRPF1 3213/4885GAA 1291/4885SMN1; SMN2 13/4885

“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.