SCHEMBL5037735

SCHEMBL5037735

C[Sn](C)(C)c1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
NOS1 P29475 9/20 0.44
NOS2 P35228 9/20 0.44
NOS3 P29474 7/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
PRMT6 Q96LA8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
NCF1 P14598 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37

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
SCHEMBL29819459 1.00 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL5041220 0.83 TAAR1 (0.57) PNMTLOXL2NOS1ALDH1A1SMN1; SMN2
SCHEMBL8674936 0.78 ENPP2 (0.45) ENPP2NOS1NOS2NOS3
SCHEMBL27306101 0.77 HRH3 (0.50) LOXL2NOS1NOS2NOS3HRH3
SCHEMBL6459970 0.76 PNMT (0.42) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL15267169 0.75 ACHE (0.35)
SCHEMBL10422276 0.75 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL36008 0.75 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL6687526 0.74 ENPP2 (0.49) ENPP2
SCHEMBL4342311 0.74 PNMT (0.40) PNMTENPP2LOXL2NOS1NOS2

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
US-7329668-B2 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-12 US disclosed
US-20040204432-A1 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004075846-A2 PYRAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-10 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-20040204432-A1 Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same TPMT, HPRT1, TYMP PNMT 2731/4885ENPP2 1001/4885LOXL2 4423/4885

“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.