SCHEMBL163636

SCHEMBL163636

NC(=O)c1ccnc([O])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
KDM4E B2RXH2 2/20 0.40
KDM5A P29375 1/20 0.40
JMJD1C Q15652 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
PIM1 P11309 1/20 0.39
LMNA P02545 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SIRT6 Q8N6T7 2/20 0.36
PARP1 P09874 1/20 0.36
KMT2A Q03164 1/20 0.36
LCK P06239 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL163233 0.80 KDM4E (0.55) TSHRKDM4EKDM5AJMJD1CKDM3A
SCHEMBL9081101 0.80 ADORA3 (0.43) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2606614 0.78 ROCK1 (0.49) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL30521607 0.78 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL9953724 0.78 PIM1 (0.43) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3906535 0.78 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3590598 0.78 ALDH1A1 (0.47) KDM4EKDM5AJMJD1CKDM3AKMT2A
SCHEMBL8751997 0.77 ADORA3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL19151646 0.77 ADORA3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL31000446 0.77 ADORA3 (0.41) ADORA3TSHRMC4RADRA1AMC3R

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ADORA3 705/4885TSHR 4862/4885MC4R 4604/4885

“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.