SCHEMBL2093468

SCHEMBL2093468

c1cn(CCCNC2CC[N]C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.48
GAA P10253 1/20 0.48
TBXAS1 P24557 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SOD1 P00441 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4142467 0.91 QPCT (0.50) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL4954773 0.75 QPCT (0.46) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL17715625 0.72 QPCT (0.49) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL19786259 0.70 TBXAS1 (0.68) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL6394030 0.70 QPCT (0.53) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL20966334 0.69 TBXAS1 (0.65) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL17484528 0.69 QPCT (0.42) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL24713117 0.68 QPCT (0.40) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL9777196 0.68 TBXAS1 (0.85) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL937596 0.68 TBXAS1 (0.95) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 QPCT 751/4885GAA 240/4885TBXAS1 2243/4885

“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.