SCHEMBL3095589

SCHEMBL3095589

Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(Cl)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
KCNH2 Q12809 4/20 0.35
TRPV1 Q8NER1 2/20 0.34
CDK2AP1 O14519 1/20 0.34
CHEK1 O14757 1/20 0.34
PIM1 P11309 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
CCR1 P32246 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PAX8 Q06710 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3099329 0.85 PDE2A (0.39) MAPK11MAPK14GABBR2GABBR1KCNH2
SCHEMBL3110402 0.83 CHEK1 (0.37) MAPK11MAPK14CHEK1KMT2AMAPT
SCHEMBL3101706 0.83 GABBR2 (0.37) MAPK11MAPK14GABBR2GABBR1KCNH2
SCHEMBL3102210 0.78 KCNH2 (0.33) MAPK11MAPK14GABBR2GABBR1KCNH2
SCHEMBL3101390 0.74 MAPK11 (0.41) MAPK11MAPK14
SCHEMBL3111621 0.74 SMN1; SMN2 (0.40) MAPK11MAPK14KMT2ANPSR1SMN1; SMN2
SCHEMBL3954260 0.73 PDE2A (0.40) MAPK11MAPK14CCR1
SCHEMBL717697 0.73 KIF11 (0.33) KCNH2PIM1MEN1KMT2ALMNA
SCHEMBL3105161 0.73 PDE2A (0.45) MAPK11MAPK14GABBR2GABBR1KCNH2
SCHEMBL719361 0.73 CSNK1D (0.34) GABBR2GABBR1KCNH2PIM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR MAPK11 542/4885MAPK14 1389/4885GABBR2 836/4885

“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.