SCHEMBL512761

SCHEMBL512761

CC1(C)OCC(c2ccccc2)c2nc(N)nc(N)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
DHFR P00374 5/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM1A O60341 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
DCPS Q96C86 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HRH2 P25021 1/20 0.32
PIK3CG P48736 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
NUDT1 P36639 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL513417 0.78 NOS1 (0.40) NOS1FGFR1FGFR2DHFRHRH3
SCHEMBL512977 0.73 NOS1 (0.38) NOS1FGFR1FGFR2DHFRHRH3
SCHEMBL512514 0.67 NOS1 (0.40) NOS1FGFR1FGFR2DHFRHRH3
SCHEMBL513386 0.66 HRH4 (0.50) NOS1FGFR1FGFR2DHFRHRH3
SCHEMBL513286 0.66 HRH3 (0.41) NOS1FGFR1FGFR2DHFRHRH3
SCHEMBL9105146 0.65 NOS1 (0.38) NOS1FGFR1FGFR2DHFRHRH3
SCHEMBL512760 0.63 NOS1 (0.36) NOS1DHFRHRH3DCPSHRH2
SCHEMBL513416 0.59 NOS1 (0.38) NOS1DHFRHRH3DCPSHRH2
SCHEMBL513929 0.58 HRH3 (0.46) FGFR1FGFR2HRH3HRH4HRH2
SCHEMBL512795 0.58 KDM4E (0.32)

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
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US claimed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO claimed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 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 (2 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NOS1 1045/4885FGFR1 4764/4885FGFR2 4812/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NOS1 1045/4885FGFR1 4764/4885FGFR2 4812/4885

“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.