SCHEMBL513416

SCHEMBL513416

CC1c2c(N)nc(N)nc2C(c2ccccc2)C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.38
DCPS Q96C86 1/20 0.36
DHFR P00374 5/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NUDT1 P36639 1/20 0.34
PIK3CG P48736 1/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL513185 0.79 DHFR (0.39) DHFRCYP1A2HSD17B10GMNNLMNA
SCHEMBL512760 0.79 NOS1 (0.36) NOS1DCPSDHFRALDH1A1CYP1A2
SCHEMBL512514 0.71 NOS1 (0.40) NOS1DCPSDHFRALDH1A1CYP1A2
SCHEMBL513286 0.70 HRH3 (0.41) NOS1DCPSDHFRPIK3CGHRH2
SCHEMBL512977 0.69 NOS1 (0.38) NOS1DCPSDHFRALDH1A1CYP1A2
SCHEMBL8634423 0.66 NOS1 (0.38) NOS1DHFRHSD17B10HRH2HRH3
SCHEMBL9105146 0.66 NOS1 (0.38) NOS1DCPSDHFRALDH1A1CYP1A2
SCHEMBL8634425 0.66 NOS1 (0.38) NOS1DHFRHSD17B10HRH2HRH3
SCHEMBL8636193 0.66 NOS1 (0.38) NOS1DHFRHSD17B10HRH2HRH3
SCHEMBL8636197 0.66 NOS1 (0.38) NOS1DHFRHSD17B10HRH2HRH3

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 1045/4885DCPS 1814/4885DHFR 2702/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NOS1 1045/4885DCPS 1814/4885DHFR 2702/4885

“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.