SCHEMBL3738332

SCHEMBL3738332

CCc1nc(-c2ncccn2)sc1C(=O)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
ROCK2 O75116 4/20 0.53
ROCK1 Q13464 3/20 0.53
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
KCNB1 Q14721 1/20 0.47
MMP13 P45452 1/20 0.47
GLS O94925 6/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NAMPT P43490 1/20 0.45
HPGD P15428 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43

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
SCHEMBL3748062 0.90 KCNA5 (0.47) ROCK2ROCK1KCNB1MMP13KMT2A
SCHEMBL3743150 0.90 PPARA (0.55) NAMPTHPGDPPARDPPARA
SCHEMBL3751769 0.82 EGLN1 (0.50) ROCK2ROCK1MMP13KMT2AMEN1
SCHEMBL3749854 0.81 HSD17B13 (0.48) ROCK2ROCK1
SCHEMBL3747214 0.81 CHRM4 (0.46) CACNA1GCACNA1HCACNA1IMMP13
SCHEMBL3740331 0.81 TACR1 (0.45) HPGDPPARDPPARA
SCHEMBL3747474 0.80 HPGD (0.53) KMT2AMEN1HPGDPPARA
SCHEMBL3741871 0.79 EGLN1 (0.49) ROCK2KMT2A
SCHEMBL3749009 0.79 KMT2A (0.49) KMT2APPARA
SCHEMBL3743964 0.79 PTGDR2 (0.45) KMT2AMEN1HPGD

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 MAPK14 2607/4885ROCK2 4627/4885ROCK1 4605/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MAPK14 2607/4885ROCK2 4627/4885ROCK1 4605/4885

“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.