SCHEMBL4580571

SCHEMBL4580571

O=C(O)c1ccc2cncc(C#Cc3ccccc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
MGAM O43451 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC16A3 O15427 5/20 0.38
GRM5 P41594 2/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP2 P08253 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HNF4A P41235 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL4579443 0.80 CCNC (0.45) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL4578733 0.77 GRM5 (0.54) KMT2ANPC1RAB9AGRM5TSHR
SCHEMBL4579857 0.73 CCNC (0.64) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL13313431 0.72 KDM4E (0.61) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL578828 0.70 CCNC (0.47) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL6641803 0.70 CCNC (0.47) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL12114712 0.70 CCNC (0.50) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL29850571 0.70 CCNC (0.47) KDM4EKMT2AMGAMCCNCCDK8
SCHEMBL4580845 0.70 MMP2 (0.46) KDM4EKMT2AMGAMCCNCCDK8
Hydrochloric Acid SCHEMBL4580182 0.69 CCNC (0.46) KDM4EKMT2AMGAMCCNCCDK8

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 5 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 claimed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US claimed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP claimed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO claimed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US claimed

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 KDM4E 3744/4885KMT2A 2613/4885MGAM 4813/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 KDM4E 3744/4885KMT2A 2613/4885MGAM 4813/4885

“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.