SCHEMBL3744544

SCHEMBL3744544

CCc1nc(-c2ncccn2)sc1C(=O)NC1CC(C)CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.38
IDH1 O75874 7/20 0.37
CFD P00746 1/20 0.35
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
PPP1CA P62136 1/20 0.33

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
SCHEMBL3738851 0.83 NPC1 (0.50) NPC1
SCHEMBL3746370 0.78 CHRM4 (0.43) NPC1LMNA
SCHEMBL3745216 0.76 PTGDR2 (0.42) NPC1THRB
SCHEMBL3748572 0.74 MEN1 (0.48) KDM4EALDH1A1
SCHEMBL3751397 0.71 KDM4E (0.46) KDM4EALDH1A1NPC1LMNA
SCHEMBL3747456 0.71 CNR2 (0.43)
SCHEMBL3747362 0.70 NAMPT (0.39) KDM4ENPC1
SCHEMBL3748757 0.70 CNR1 (0.45) TDP1KDM4EALDH1A1HTTNPC1
SCHEMBL26795528 0.69 TRPM8 (0.39) KDM4EALDH1A1NPC1LMNA
SCHEMBL13078428 0.69 PPARA (0.36) KDM4EALDH1A1HTTNPC1THRB

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 TDP1 4444/4885KDM4E 3311/4885ALDH1A1 875/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 TDP1 4444/4885KDM4E 3311/4885ALDH1A1 875/4885

“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.