SCHEMBL2135138

SCHEMBL2135138

Cc1cc(C#N)cc2c1NC(c1cccc(Br)c1)CC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDM1A O60341 2/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ EPAS1 Q99814 5/20 0.31
▸ PGR P06401 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL2134900 0.88 MAPK1 (0.38) L3MBTL1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2136714 0.83 KMT2A (0.36) L3MBTL1MAPK1ALDH1A1KDM1ARCOR1
SCHEMBL2141149 0.82 F10 (0.42) L3MBTL1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2134564 0.78 GRIN2B (0.36) MAPK1ALDH1A1F10F11F7
SCHEMBL2135508 0.78 F10 (0.33) F10F11F7
SCHEMBL11026450 0.77 TSHR (0.42) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL2136717 0.72 ALDH1A1 (0.40) L3MBTL1MAPK1ALDH1A1MAPTALOX15
SCHEMBL2138859 0.68 EPAS1 (0.42) L3MBTL1MAPTKDM1ARCOR1EPAS1
SCHEMBL2134549 0.68 F7 (0.43) KDM1APGRF10F11F7
SCHEMBL2140705 0.68 TSHR (0.41) ALDH1A1MAPTKMT2ALMNAF10

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 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
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 L3MBTL1 2342/4885MAPK1 148/4885ALDH1A1 624/4885

“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.

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