SCHEMBL4861552

SCHEMBL4861552

CNc1cc(NC(N)=O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.58
NR3C2 P08235 10/20 0.46
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
NNMT P40261 3/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL4701803 0.87 NR3C2 (0.55) TYK2NR3C2JAK2
SCHEMBL16840724 0.84 TYK2 (0.60) TYK2JAK2JAK1MAPTHSD17B10
SCHEMBL15880595 0.79 SMARCA2 (0.61) NR3C2MAPTHSD17B10
SCHEMBL2686515 0.77 TYK2 (0.50) TYK2JAK2JAK1MAPTHSD17B10
SCHEMBL14319175 0.76 TYK2 (0.51) TYK2JAK2JAK1AAK1
SCHEMBL31078765 0.75 AR (0.52) TYK2NR3C2JAK2MAPTHSD17B10
SCHEMBL2606609 0.75 NNMT (0.56) TYK2NNMT
SCHEMBL9278345 0.75 SMARCA2 (0.65) TYK2JAK2
SCHEMBL23015807 0.75 KIF11 (0.46) TYK2NR3C2JAK2MAPTHSD17B10
SCHEMBL4860253 0.75 MAPT (0.41) NR3C2MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR TYK2 2428/4885NR3C2 668/4885JAK2 2131/4885

“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.