SCHEMBL4563453

SCHEMBL4563453

CNC(=O)c1ncc(N2CCc3nc(OC4CCN(C(C)C)CC4)ccc3C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
HRH3 Q9Y5N1 8/20 0.39
ACACB O00763 2/20 0.37
TIPARP Q7Z3E1 1/20 0.37
NAMPT P43490 2/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDGFRB P09619 1/20 0.35
SCN9A Q15858 1/20 0.35
DRD3 P35462 2/20 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
SCHEMBL3385349 0.90 HRH3 (0.44) KDRHRH3ACACBDRD3
SCHEMBL3386245 0.84 HRH3 (0.56) HRH3SCN9A
SCHEMBL3387535 0.83 HRH3 (0.40) HRH3ACACBTIPARPDRD3
SCHEMBL3384823 0.83 HRH3 (0.44) KDRHRH3ACACBTIPARPDRD3
SCHEMBL3930338 0.82 HRH3 (0.54) KDRHRH3ACACBTIPARPDRD3
SCHEMBL4421814 0.82 KDR (0.39) KDRHRH3ACACBTIPARPNAMPT
SCHEMBL118339 0.77 HRH3 (0.54) HRH3
SCHEMBL3385288 0.76 HRH3 (0.40) HRH3TIPARP
SCHEMBL986213 0.74 HRH3 (0.46) HRH3TIPARP
SCHEMBL3921304 0.74 PARP1 (0.36) HRH3TIPARP

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-7557121-B2 Tetrahydronaphthyridine derivatives PFIZER INC (US) 2009-07-07 US disclosed
US-20050256135-A1 Tetrahydronaphthyridine derivatives LUNN GRAHAM 2005-11-17 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-20050256135-A1 Tetrahydronaphthyridine derivatives HRH4, HRH3, HRH1 KDR 3079/4885HRH3 2/4885ACACB 4320/4885

“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.