SCHEMBL5024434

SCHEMBL5024434

COCC1CCCN1c1cc(C)nc2cc(NC(=O)c3ccc(C#N)cc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.52
▸ TCF7L2 Q9NQB0 2/20 0.52
▸ MLLT1 Q03111 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ ADORA2A P29274 9/20 0.41
▸ ADORA1 P30542 9/20 0.41
▸ BRAF P15056 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ITK Q08881 2/20 0.40
▸ TERT O14746 1/20 0.40

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
SCHEMBL5028622 1.00 CTNNB1 (0.52) CTNNB1TCF7L2MLLT1LRRK2DPP4
SCHEMBL5024431 1.00 CTNNB1 (0.52) CTNNB1TCF7L2MLLT1LRRK2DPP4
SCHEMBL5022834 0.92 MLLT1 (0.44) CTNNB1TCF7L2MLLT1LRRK2DPP4
SCHEMBL5022830 0.92 MLLT1 (0.44) CTNNB1TCF7L2MLLT1LRRK2DPP4
SCHEMBL5028536 0.90 CTNNB1 (0.63) CTNNB1TCF7L2BRAF
SCHEMBL5028530 0.90 CTNNB1 (0.63) CTNNB1TCF7L2BRAF
Hydrochloric Acid SCHEMBL5028655 0.89 CTNNB1 (0.62) CTNNB1TCF7L2BRAF
Hydrochloric Acid SCHEMBL5028652 0.89 CTNNB1 (0.62) CTNNB1TCF7L2BRAF
SCHEMBL5024512 0.87 ROCK2 (0.42) CTNNB1TCF7L2ADORA2AADORA1CYP1A2
SCHEMBL5024638 0.87 ROCK2 (0.42) CTNNB1TCF7L2ADORA2AADORA1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO disclosed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — 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-20030153553-A1 Quinoline derivatives NPY1R, NPY4R, GLP1R CTNNB1 4659/4885TCF7L2 1803/4885MLLT1 3833/4885

“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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