SCHEMBL2097592

SCHEMBL2097592

c1ncc(CCNC2CC[N]C2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.67
HRH4 Q9H3N8 7/20 0.56
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.47
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43

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
SCHEMBL2093428 0.72 GRIN2B (0.41) HRH3ALDH1A1
SCHEMBL8963903 0.67 HRH3 (0.73) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL17483161 0.66 QPCT (0.75) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL14415981 0.66 HRH3 (0.64) HRH3HRH4EPHX1
Hydrochloric Acid SCHEMBL1696889 0.65 HRH3 (0.96) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL3034101 0.65 HRH3 (0.43) HRH3ALDH1A1KMT2A
SCHEMBL1579155 0.64
SCHEMBL3199228 0.64
SCHEMBL13073926 0.64 HRH3 (0.77) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL26267985 0.64 HRH3 (0.72) HRH3HRH4MEN1ALDH1A1MAPT

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 HRH3 3712/4885HRH4 3362/4885MEN1 1184/4885

“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.