SCHEMBL11026040

SCHEMBL11026040

CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2cnc(C#N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ IDO1 P14902 4/20 0.33
▸ TDO2 P48775 3/20 0.33
▸ PGR P06401 1/20 0.32
▸ TGFBR1 P36897 3/20 0.31
▸ TGFBR2 P37173 3/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP11B2 P19099 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ CHEK1 O14757 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
SCHEMBL11026964 0.80 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11024989 0.80 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11024277 0.80 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11024274 0.77 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11940916 0.73 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1
SCHEMBL45587 0.72 PRKAG1 (0.57) PRKAG1PRKAA1PRKAB1PGR
SCHEMBL44974 0.72 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11026442 0.72 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11024427 0.70 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1PGRSLC6A2
SCHEMBL11025519 0.67 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IDO1TDO2

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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