SCHEMBL5025318

SCHEMBL5025318

Cc1cc(N2CCCC2)c2ccc(C(N)c3cccs3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.51
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL6893157 0.85 MEN1 (0.39) NCF1MEN1KMT2AMAPK1HTT
SCHEMBL5028713 0.82 NCF1 (0.52) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5022703 0.78 NCF1 (0.51) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5025396 0.78 NCF1 (0.57) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5025304 0.77 NCF1 (0.53) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5405074 0.76 NCF1 (0.56) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5412917 0.75 NCF1 (0.59) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5025365 0.72 NCF1 (0.64) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5025319 0.71 KDM4E (0.54) NCF1MEN1KMT2AHTTKDM4E
SCHEMBL5024576 0.70 NCF1 (0.66) NCF1MEN1KMT2AADRB2ADRB1

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 6 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 claimed
US-6696467-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-24 — — US claimed
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — US claimed
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 1858/4885MEN1 339/4885KMT2A 3673/4885

“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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