SCHEMBL11028016

SCHEMBL11028016

CC1(C)CC(c2cc(N3CCOCC3)ccc2C(N)=O)Nc2ccc([C]=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.39
▸ PARP1 P09874 1/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ KIF11 P52732 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL11031491 0.85 JAK1 (0.34) JAK1JAK3
SCHEMBL11028239 0.81 MAPT (0.36) PRKDCJAK2KIF11MAPTALK
SCHEMBL11025342 0.80 LGMN (0.34) PRKDCKIF11MAPTALKMEN1
SCHEMBL11028020 0.79 PRKAG1 (0.40) PRKDCKIF11MAPTMEN1KMT2A
SCHEMBL11028243 0.79 PRKAG1 (0.39) PRKDCJAK2KIF11MAPTMEN1
SCHEMBL11025344 0.78 PRKAG1 (0.39) PRKDCKIF11MAPTMEN1KMT2A
SCHEMBL11025707 0.75 CYP2C19 (0.40) PRKDCKIF11MAPTALKMEN1
SCHEMBL11025372 0.75 CYP2C19 (0.40) PRKDCPARP1JAK2JAK1TYK2
SCHEMBL11025981 0.75 KMO (0.43) PRKDCKIF11MAPTMEN1KMT2A
SCHEMBL11027325 0.74 PRKAG1 (0.43) PRKDCKIF11MAPTMEN1KMT2A

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 9 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 claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
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
WO-2012101207-A2 PROCESS OF ELECTRICAL CONNECTION OF PHOTOVOLTAIC DEVICES TECHNICAL UNIVERSITY OF DENMARK (DK) 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 PRKDC 4587/4885PARP1 616/4885JAK2 109/4885

“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.

Send feedback