SCHEMBL733048

SCHEMBL733048

CC(N)c1nccnc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 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
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ADORA2B P29275 1/20 0.32
KAT2B Q92831 1/20 0.32
PARP1 P09874 1/20 0.31
RPS6KB1 P23443 1/20 0.31
ATR Q13535 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
SCHEMBL28119175 0.86 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31046830 0.86 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL15145687 0.78 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
Trifluoroacetic Acid SCHEMBL28182510 0.77 L3MBTL1 (0.38) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3917303 0.77 ADORA3 (0.31) ADORA3TSHRMC4RADRA1AMC3R
Trifluoroacetic Acid SCHEMBL30045250 0.77 L3MBTL1 (0.38) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL13544700 0.76 ADORA3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2492969 0.75 TSHR (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31521458 0.72 CTSC (0.31) ADORA2AADORA1
SCHEMBL30665115 0.72 GPR84 (0.38) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ADORA3 1290/4885TSHR 1111/4885MC4R 109/4885

“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.