SCHEMBL17866570

SCHEMBL17866570

NC(=O)c1cc2c(cn1)CC=C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.38
LCK P06239 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.32
NNMT P40261 1/20 0.31
PRF1 P14222 1/20 0.31
GSK3B P49841 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL22418394 0.72 ADORA3 (0.36) SIRT6LCKADORA3TSHRMC4R
Hydrochloric Acid SCHEMBL28292048 0.71 ADORA3 (0.35) SIRT6LCKADORA3TSHRMC4R
SCHEMBL26218235 0.70 HRH3 (0.30)
SCHEMBL18248727 0.69 NOS3 (0.52) SIRT6LCKADORA3TSHRMC4R
SCHEMBL13073509 0.68 UHRF1 (0.34)
SCHEMBL19641430 0.68 SIRT6 (0.40) SIRT6LCKADORA3TSHRMC4R
SCHEMBL30334331 0.68 SIRT6 (0.40) SIRT6LCKADORA3TSHRMC4R
SCHEMBL784887 0.68 KDM1A (0.41) LCKTSHRKMT2A
SCHEMBL30036680 0.68 SIRT6 (0.40) SIRT6LCKADORA3TSHRMC4R
SCHEMBL5173369 0.66 LCK (0.56) SIRT6LCKADORA3TSHRMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 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-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA SIRT6 2259/4885LCK 2429/4885ADORA3 642/4885

“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.