SCHEMBL361403

SCHEMBL361403

C=CCOc1cc(N)ccc1-n1ncnc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 4/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 1/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
P2RY12 Q9H244 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
SCHEMBL511854 0.82 NR4A1 (0.54) NR4A1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL363067 0.81 NPC1 (0.39) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL362217 0.74 NR4A1 (0.35) NR4A1KDM4EHSD17B10ALDH1A1DRD2
SCHEMBL29877763 0.73 ALDH1A1 (0.39) NR4A1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL19814656 0.73 MAPT (0.44) KDM4EALDH1A1GAASMN1; SMN2TSHR
SCHEMBL512812 0.73 ALDH1A1 (0.39) NR4A1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14206692 0.72 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1GAATSHR
SCHEMBL18428709 0.70 MAPT (0.52) NR4A1KDM4EHSD17B10ALDH1A1DRD2
SCHEMBL19814266 0.70 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAAMEN1
SCHEMBL7112756 0.69 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1HTR2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3120/4885KDM4E 4656/4885HSD17B10 1356/4885

“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.