SCHEMBL5028713

SCHEMBL5028713

Cc1cc(N2CCCC2)c2ccc(C(N)c3ccncc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.52
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ LATS1 O95835 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL5022703 0.86 NCF1 (0.51) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5025304 0.85 NCF1 (0.53) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5025318 0.82 NCF1 (0.51) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5025396 0.80 NCF1 (0.57) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5025365 0.75 NCF1 (0.64) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL27597792 0.75 NCF1 (0.53) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5028675 0.74 NCF1 (0.50) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5024576 0.74 NCF1 (0.66) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5024568 0.72 NCF1 (0.64) NCF1ADRB2ADRB1HSD17B10MAPK1
SCHEMBL5035849 0.72 NCF1 (0.64) NCF1ADRB2ADRB1HSD17B10MAPK1

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 3 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
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US 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 NCF1 1858/4885ADRB2 519/4885ADRB1 141/4885

“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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