SCHEMBL3751929

SCHEMBL3751929

CCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.48
ROCK1 Q13464 5/20 0.48
MAPK1 P28482 3/20 0.48
RPS6KA5 O75582 2/20 0.48
RPS6KA4 O75676 2/20 0.48
PRKACA P17612 2/20 0.48
GSK3B P49841 2/20 0.48
PRKX P51817 2/20 0.48
PRKG1 Q13976 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
GSK3A P49840 1/20 0.48
IRAK1 P51617 1/20 0.48
PKN2 Q16513 1/20 0.48
SGK2 Q9HBY8 1/20 0.48
PIN1 Q13526 1/20 0.44
CYP3A4 P08684 1/20 0.44
EGFR P00533 3/20 0.42
LIMK1 P53667 1/20 0.41
PDE10A Q9Y233 2/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL3745008 0.91 ROCK2 (0.49) ROCK2ROCK1MAPK1RPS6KA5RPS6KA4
SCHEMBL3743362 0.83 TLR8 (0.37)
SCHEMBL3749715 0.80 ALDH1A1 (0.45) MAPK1CYP3A4KMT2A
SCHEMBL3746386 0.78 CNR2 (0.35)
SCHEMBL3751397 0.75 KDM4E (0.46) NPC1RAB9AKMT2A
SCHEMBL26791923 0.73 TRPM8 (0.38) NPC1RAB9AKMT2A
SCHEMBL3740523 0.73 THRB (0.38) RAB9AKMT2A
SCHEMBL3743313 0.71 FDFT1 (0.47) NPC1RAB9A
SCHEMBL3736794 0.71 RAB9A (0.48) NPC1RAB9AKMT2A
SCHEMBL26795528 0.70 TRPM8 (0.39) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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 (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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 ROCK2 4627/4885ROCK1 4605/4885MAPK1 2670/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 ROCK2 4627/4885ROCK1 4605/4885MAPK1 2670/4885

“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.