SCHEMBL5028650

SCHEMBL5028650

Cc1cc(N2CCCC2)c2ccc(NCc3ccc(F)cc3F)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.46
NTRK1 P04629 3/20 0.42
NTRK3 Q16288 2/20 0.40
NTRK2 Q16620 2/20 0.40
PDE2A O00408 1/20 0.40
CYP2D6 P10635 1/20 0.40
GPR6 P46095 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5024388 0.86 CTNNB1 (0.49) NCF1
SCHEMBL5022695 0.83 NCF1 (0.51) NCF1PDE2ACCNT1CDK9KDM4E
SCHEMBL5028620 0.82 NCF1 (0.55) NCF1
SCHEMBL5024510 0.80 KDM4E (0.56) NCF1KDM4E
SCHEMBL5025398 0.80 NCF1 (0.56) NCF1
SCHEMBL5024407 0.80 NCF1 (0.50) NCF1KDM4E
SCHEMBL5022538 0.80 NCF1 (0.53) NCF1
SCHEMBL5026888 0.80 NCF1 (0.50) NCF1PDE2A
SCHEMBL5024554 0.79 NCF1 (0.51) NCF1CYP2D6KDM4E
SCHEMBL5022553 0.79 NCF1 (0.51) NCF1CYP2D6KDM4E

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
US-20030153553-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 US disclosed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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 1858/4885NTRK1 2484/4885NTRK3 2502/4885

“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.