SCHEMBL513403

SCHEMBL513403

COc1cc(N)ccc1-c1cc(Cl)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
HSP90AA1 P07900 6/20 0.44
HSP90AB1 P08238 6/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 5/20 0.40
TSHR P16473 4/20 0.40
HTT P42858 1/20 0.40
CLK4 Q9HAZ1 6/20 0.40
CYP1A2 P05177 5/20 0.40
CYP2C19 P33261 5/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 4/20 0.40
CYP3A4 P08684 3/20 0.40
USP2 O75604 2/20 0.40
CYP2D6 P10635 4/20 0.39

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
SCHEMBL15533294 0.83 CYP1A2 (0.50) HSP90AA1HSP90AB1GAAMAPTKDM4E
SCHEMBL2255943 0.83 HSP90AA1 (0.47) KITHSP90AA1HSP90AB1IMPDH2IMPDH1
SCHEMBL8514899 0.82 CYP1A2 (0.48) HSP90AA1HSP90AB1MAPK1TSHRCLK4
SCHEMBL30777916 0.82 CYP1A2 (0.48) HSP90AA1HSP90AB1MAPK1TSHRCLK4
SCHEMBL1850151 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EMAPK1TSHR
SCHEMBL20210912 0.78 SCN9A (0.48) MAPK1TSHRCYP2C19TP53USP2
SCHEMBL16370824 0.77 AAK1 (0.51) KITHSP90AA1HSP90AB1IMPDH2IMPDH1
SCHEMBL511711 0.76 HTT (0.49) GAAMAPTMAPK1HTTCYP1A2
SCHEMBL2182541 0.76 AAK1 (0.52) IMPDH2IMPDH1KDM4CGAAMAPT
SCHEMBL4301977 0.75 MAPT (0.46) KITKDM4CGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 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 (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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP KIT 4699/4885HSP90AA1 1390/4885HSP90AB1 794/4885

“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.