SCHEMBL2093428

SCHEMBL2093428

c1cc(CCNC2CC[N]C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.41
HSD17B10 Q99714 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL2568569 0.84 GRIN2B (0.51) GRIN2BHSD17B10ROCK2ROCK1JAK2
SCHEMBL10995268 0.79 TAAR1 (0.59) GRIN2BHSD17B10ROCK2ROCK1HRH3
SCHEMBL3034101 0.78 HRH3 (0.43) GRIN2BHRH3ALDH1A1TDP1POLB
SCHEMBL20445923 0.78 KCNH2 (0.43) GRIN2BHSD17B10ROCK2ROCK1JAK2
SCHEMBL31336925 0.77 SOS1 (0.46) GRIN2BHSD17B10ROCK2ROCK1JAK2
SCHEMBL5779010 0.75 CHRM3 (0.42) GRIN2BHRH3TAAR1SMN1; SMN2POLB
SCHEMBL5779830 0.72 MPO (0.45) GRIN2BHRH3TAAR1ALDH1A1
SCHEMBL2097592 0.72 HRH3 (0.67) HRH3ALDH1A1
SCHEMBL2095023 0.71 PRMT6 (0.54) HRH3ALDH1A1
SCHEMBL2092847 0.70 ALDH1A1 (0.66) HSD17B10ALDH1A1

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 GRIN2B 3247/4885HSD17B10 1515/4885ROCK2 4823/4885

“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.