SCHEMBL15747622

SCHEMBL15747622

O=C(NCCCN1CCOCC1)c1ccc2cncc(-c3ccccc3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
HIF1A Q16665 1/20 0.59
KDM4A O75164 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.51
KMT2A Q03164 1/20 0.51
ABCB1 P08183 1/20 0.51
HPGD P15428 1/20 0.51
ABCC1 P33527 1/20 0.51
PTGS2 P35354 1/20 0.49
HPGDS O60760 1/20 0.49
TACR2 P21452 1/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL5266902 0.88 GAA (0.62) HTTKDM4ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15747563 0.80 SMN1; SMN2 (0.59) HTTHIF1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4580883 0.79 MEN1 (0.52) HTTHIF1AKDM4ASMN1; SMN2ALDH1A1
SCHEMBL13187205 0.77 SMN1; SMN2 (0.53) HTTHIF1AKDM4ASMN1; SMN2ALDH1A1
SCHEMBL4581070 0.76 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4EHPGDHPGDS
SCHEMBL15741561 0.74 HPGD (0.50) HTTALDH1A1KMT2AHPGDHPGDS
SCHEMBL16373737 0.74 HTT (1.00) HTTHIF1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8150783 0.73 CD274 (0.85) HTTHIF1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1382764 0.73 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL15742887 0.73 NPC1 (0.57) HTTHIF1ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO 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-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 HTT 1835/4885HIF1A 2618/4885KDM4A 2448/4885

“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.