Sugi Predict

Sugi Predict / Compounds / SCHEMBL3509780

SCHEMBL3509780

SCHEMBL3509780

CNCCc1cnn(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.45
▸ TAAR1 Q96RJ0 4/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HAT1 O14929 2/20 0.38
▸ EP300 Q09472 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL27317527 0.81 TAAR1 (0.39) PDE10ATAAR1ATMTMEM97SIGMAR1
SCHEMBL22267906 0.79 EP300 (0.43) PDE10AALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL178397 0.79 — —
SCHEMBL30628842 0.78 KCNH2 (0.43) PDE10AALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL6133076 0.78 PDE10A (0.41) PDE10AALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL8342570 0.77 — —
SCHEMBL30600853 0.75 NPC1 (0.46) PDE10AALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL23678033 0.75 — —
SCHEMBL18444926 0.75 — —
SCHEMBL3513227 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 PDE10A 1613/4885TAAR1 3625/4885ATM 316/4885
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 PDE10A 1815/4885TAAR1 241/4885ATM 4447/4885

“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.