SCHEMBL2136563

SCHEMBL2136563

CC1(C)CC(c2cccc(NS(=O)(=O)c3ccccc3F)c2)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.43
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
THRB P10828 1/20 0.39
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK7 P50613 2/20 0.37
CCNH P51946 2/20 0.37
CCNA1 P78396 2/20 0.37
CCND1 P24385 1/20 0.37
CDK6 Q00534 1/20 0.37
MOGAT2 Q3SYC2 2/20 0.37
SGK1 O00141 2/20 0.36
NLRP3 Q96P20 1/20 0.36
IDH1 O75874 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2136176 0.88 PKM (0.46) BRD4PKMPKLRCDK1CCNB1
SCHEMBL2134891 0.88 BRD4 (0.44) BRD4PKMSGK1NLRP3KMT2A
SCHEMBL2136761 0.88 BRD4 (0.43) BRD4PKMSGK1NLRP3KMT2A
SCHEMBL2136517 0.87 KIF11 (0.46) BRD4PKMPKLRTHRBCDK1
SCHEMBL2136934 0.87 PKM (0.46) PKMPKLRCDK1CCNB1CCNA2
SCHEMBL2135923 0.87 PKM (0.46) BRD4PKMPKLRCDK1CCNB1
SCHEMBL2135474 0.85 BRD4 (0.42) BRD4PKMSGK1NLRP3KMT2A
SCHEMBL2135486 0.85 FFAR4 (0.55) BRD4PKMPKLRCDK1CCNB1
SCHEMBL2138495 0.84 KIF11 (0.40) PKMPKLRTHRBCDK1CCNB1
SCHEMBL2135351 0.84 MCL1 (0.39) BRD4PKMMOGAT2IDH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US claimed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP claimed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US claimed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 BRD4 739/4885PKM 1174/4885PKLR 992/4885

“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.