SCHEMBL4580145

SCHEMBL4580145

c1coc(Cc2ccc3cnccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
MAPK1 P28482 6/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CLK1 P49759 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL742291 0.81 PDE10A (0.46) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL25244179 0.74 PNP (0.38) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL8488741 0.72 ALDH1A1 (0.49) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL29550107 0.70 CCR1 (0.48) KDM4EPDE10AHDAC1HDAC6HDAC5
SCHEMBL10271357 0.70 HDAC1 (0.36) PDE10AHDAC1HDAC6HDAC5
SCHEMBL23554874 0.70 CCR1 (0.48) KDM4EPDE10AHDAC1HDAC6HDAC5
SCHEMBL1161576 0.70 PDE3B (0.36) ALDH1A1KDM4ESMN1; SMN2PDE10AHPGD
SCHEMBL14911919 0.68 PDE10A (0.38) KDM4EPDE10AHDAC1HDAC6HDAC5
SCHEMBL11184781 0.67 MAPK1 (0.48) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL20692482 0.66 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AKDM4E

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-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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 (2 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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885TDP1 1968/4885MEN1 2217/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 ALDH1A1 107/4885TDP1 1968/4885MEN1 2217/4885

“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.