SCHEMBL15615751

SCHEMBL15615751

CS(=O)(=O)N1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.49
CDK9 P50750 11/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
TDO2 P48775 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
ENPP2 Q13822 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL20913198 0.88 SIGMAR1 (0.60) CCNT1CDK9MMP14ADAMTS5TDO2
SCHEMBL11956930 0.87 LMNA (0.62) CCNT1CDK9TDO2LMNATHRB
SCHEMBL14320646 0.84 TDO2 (0.49) CCNT1CDK9TDO2LMNATHRB
SCHEMBL979744 0.84 THRB (0.49) CCNT1CDK9TDO2LMNATHRB
SCHEMBL979793 0.84 QDPR (0.58) CCNT1CDK9TDO2LMNATHRB
SCHEMBL1103889 0.81 CCNT1 (0.59) CCNT1CDK9TDO2LMNATHRB
SCHEMBL15574942 0.81 MMP14 (0.44) CCNT1CDK9MMP14ADAMTS5TDO2
SCHEMBL1365935 0.80 CCNT1 (0.47) CCNT1CDK9TDO2ALDH1A1PKM
SCHEMBL27850414 0.79 CCNT1 (0.53) CCNT1CDK9
SCHEMBL24721518 0.77 MMP2 (0.56) CCNT1CDK9TDO2LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 EP disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
WO-2014031465-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 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 (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-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 CCNT1 3520/4885CDK9 659/4885MMP14 3913/4885

“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.