SCHEMBL5024375

SCHEMBL5024375

Cc1cc(N2CCCC2)c2ccc(Nc3ccccc3)cc2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.67
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPY5R Q15761 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
NR4A1 P22736 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5025361 0.87 NCF1 (0.53) NCF1ADRB2ADRB1MAPK1LMNA
SCHEMBL5026895 0.85 NCF1 (0.51) NCF1ADRB2ADRB1MAPK1LMNA
SCHEMBL5024342 0.83 NCF1 (0.61) NCF1ADRB2ADRB1MAPK1USP2
SCHEMBL30511704 0.82 NCF1 (0.97) NCF1ADRB2ADRB1MAPK1USP2
Cyclopropane SCHEMBL5025453 0.81 NCF1 (0.61) NCF1ADRB2ADRB1MEN1KMT2A
SCHEMBL5397410 0.80 NCF1 (0.72) NCF1ADRB2ADRB1MAPK1USP2
SCHEMBL5024367 0.79 NCF1 (0.50) NCF1ADRB2ADRB1KMT2AKDM4E
SCHEMBL5401181 0.79 NCF1 (0.74) NCF1ADRB2ADRB1MAPK1USP2
SCHEMBL5028620 0.79 NCF1 (0.55) NCF1ADRB2ADRB1MAPK1USP2
SCHEMBL5024607 0.79 MAPK1 (0.55) NCF1ADRB2ADRB1MAPK1USP2

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 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.