SCHEMBL2138495

SCHEMBL2138495

CCS(=O)(=O)Nc1cccc(C2CC(C)(C)c3cc(C(F)(F)F)ccc3N2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.40
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
NR3C2 P08235 1/20 0.35
F11 P03951 1/20 0.35
F7 P08709 1/20 0.35
FFAR1 O14842 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2136517 0.91 KIF11 (0.46) KIF11PKMPKLRF11F7
SCHEMBL2133520 0.88 PKM (0.38) KIF11PKMPKLRF11F7
SCHEMBL2136176 0.87 PKM (0.46) PKMPKLRFFAR1CDK1CCNB1
SCHEMBL2136991 0.86 ALDH1A1 (0.39) PKMF11F7THRBALDH1A1
SCHEMBL2135486 0.85 FFAR4 (0.55) PKMPKLRFFAR1CDK1CCNB1
SCHEMBL2135923 0.85 PKM (0.46) PKMPKLRFFAR1CDK1CCNB1
SCHEMBL2136934 0.85 PKM (0.46) PKMPKLRFFAR1CDK1CCNB1
SCHEMBL2134822 0.85 F11 (0.36) PKMF11F7ALDH1A1KMT2A
SCHEMBL2136563 0.84 BRD4 (0.43) PKMPKLRFFAR1CDK1CCNB1
SCHEMBL2141230 0.83 F11 (0.39) PKMF11F7ALDH1A1KMT2A

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 5 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 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

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 KIF11 3851/4885PKM 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.