SCHEMBL11027325

SCHEMBL11027325

CC1(C)CC(c2cc(N3CCOCC3)ccc2Cl)Nc2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
PRKAB2 O43741 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
KMO O15229 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
RXRA P19793 1/20 0.40
RARB P10826 1/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 2/20 0.38
PSMD14 O00487 1/20 0.38
KIF11 P52732 2/20 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
SCHEMBL11028243 0.92 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11025981 0.90 KMO (0.43) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11024487 0.88 KMO (0.42) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11025530 0.88 SIRT2 (0.45) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL11025840 0.87 EPHX2 (0.42) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11940888 0.86 SCN9A (0.39) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL11026667 0.85 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL41549 0.83 KMO (0.52) KMOMEN1KMT2AGAARXRA
SCHEMBL41867 0.82 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11028020 0.81 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1KMOMEN1

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
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
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO 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.