SCHEMBL11024427

SCHEMBL11024427

COC(=O)c1ccc2c(c1)C(C)(C)CC(c1ccc(F)c(Cl)c1)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 2/20 0.50
▸ PRKAA1 Q13131 2/20 0.50
▸ PRKAB1 Q9Y478 2/20 0.50
▸ F10 P00742 1/20 0.42
▸ F11 P03951 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ IP6K1 Q92551 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL45587 0.89 PRKAG1 (0.57) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11026442 0.88 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL45118 0.81 PRKAB2 (0.48) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11940878 0.81 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11025134 0.80 F7 (0.41) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL45455 0.79 F11 (0.49) F10F11F7MAPTMEN1
SCHEMBL11022524 0.78 ALDH1A1 (0.39) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11029204 0.77 F10 (0.46) F10F11F7MEN1KMT2A
SCHEMBL11028756 0.77 F7 (0.50) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL11024163 0.77 F10 (0.47) F10F11F7MAPTMEN1

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
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A PRKAG1 2822/4885PRKAA1 2934/4885PRKAB1 2344/4885

“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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