SCHEMBL513386

SCHEMBL513386

Nc1nc(N)c2c(n1)C(c1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
HRH2 P25021 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NOS1 P29475 4/20 0.38
HCAR2 Q8TDS4 1/20 0.38
DHFR P00374 3/20 0.38
DCPS Q96C86 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NOS2 P35228 2/20 0.35

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
SCHEMBL513929 0.81 HRH3 (0.46) HRH4HRH3HRH2HCAR2FGFR1
SCHEMBL4059024 0.76 HRH3 (0.55) HRH4HRH3HRH2NOS1NOS2
SCHEMBL4124588 0.75 HRH3 (0.60) HRH4HRH3HRH2NOS1FGFR1
SCHEMBL513286 0.74 HRH3 (0.41) HRH4HRH3HRH2NOS1DHFR
SCHEMBL362065 0.71 HCAR2 (0.38) HRH4HRH3DDB1CRBNHCAR2
SCHEMBL30095669 0.71 HCAR2 (0.38) HRH4HRH3DDB1CRBNHCAR2
SCHEMBL13650640 0.70 HRH4 (0.69) HRH4HRH3HRH2NOS1
SCHEMBL13650449 0.70 HRH3 (0.49) HRH4HRH3HRH2NOS1NOS2
SCHEMBL512977 0.70 NOS1 (0.38) HRH4HRH3HRH2NOS1DHFR
SCHEMBL18559558 0.70 HRH2 (0.33) HRH3HRH2DDB1CRBNNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH4 3240/4885HRH3 3373/4885HRH2 3316/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH4 3240/4885HRH3 3373/4885HRH2 3316/4885

“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.