SCHEMBL11029096

SCHEMBL11029096

CC1(C)CC(c2ccc(C(N)=O)c(N3CCCC3)c2)Nc2c([C]=O)cc(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ YWHAG P61981 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11025564 0.90 CDC7 (0.35) CDC7CDK9KDM4EMEN1MAPT
SCHEMBL11026764 0.83 NPC1 (0.34) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL11029114 0.83 MAPT (0.36) KDM4EMEN1MAPTTHRBALOX15
SCHEMBL11029142 0.76 PARP1 (0.35) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11029140 0.75 FAAH (0.33) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11025566 0.74 MEN1 (0.37) KDM4EMEN1MAPTTHRBALOX15
SCHEMBL11026178 0.72 HTR7 (0.34) MAPT
SCHEMBL11021415 0.71 MEN1 (0.39) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL11026768 0.70 RPS6KB1 (0.35) MEN1MAPTKMT2AALDH1A1PARP1
SCHEMBL11021411 0.70 MEN1 (0.37) KDM4EMEN1MAPTALOX15KMT2A

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 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
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 CDC7 3406/4885CDK9 3536/4885KDM4E 1324/4885

“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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