SCHEMBL2092847

SCHEMBL2092847

c1cncc(CNC2CC[N]C2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 2/20 0.66
PKM P14618 1/20 0.66
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM1A O60341 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HSD17B10 Q99714 2/20 0.44
LTA4H P09960 1/20 0.44
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
CHRM2 P08172 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL664734 0.84 ALDH1A1 (0.84) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL22076979 0.84 ALDH1A1 (0.84) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL2092320 0.82 GRIN2B (0.54)
Hydrochloric Acid SCHEMBL4795566 0.82 ALDH1A1 (0.87) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL8226104 0.81 ALDH1A1 (0.97) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL3686059 0.80 ALDH1A1 (0.94) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL9417582 0.80 ALDH1A1 (0.94) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL12120351 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL22570158 0.77 ALDH1A1 (0.72) ALDH1A1KDM4EPKMCYP1A2CYP2D6
SCHEMBL14934960 0.77 ALDH1A1 (0.72) ALDH1A1KDM4EPKMCYP1A2CYP2D6

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 ALDH1A1 292/4885KDM4E 4269/4885PKM 2491/4885

“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.