SCHEMBL4580442

SCHEMBL4580442

Cc1ccc(Nc2cncc3ccc(C(=O)O)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.43
MMP2 P08253 2/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IMPDH2 P12268 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL4580845 0.87 MMP2 (0.46) P4HTMMMP2CCNCCDK8KDM4E
SCHEMBL4579533 0.86 ADRA2A (0.47) MMP2CCNCCDK8KDM4EGSK3A
SCHEMBL4580475 0.86 AKR1C3 (0.48) P4HTMNPC1MAPTGAASMN1; SMN2
SCHEMBL4581123 0.83 TAS2R14 (0.43) MMP2CCNCCDK8KDM4ENPC1
SCHEMBL4581447 0.80 CCNC (0.39) P4HTMMMP2CCNCCDK8KDM4E
SCHEMBL4582757 0.80 GSK3A (0.42) MMP2CCNCCDK8KDM4ENPC1
SCHEMBL14368822 0.80 AKR1C3 (0.40) MMP2CCNCCDK8NPC1MAPT
SCHEMBL4580993 0.75 KDM4E (0.41) MMP2CCNCCDK8KDM4ENPC1
SCHEMBL12114712 0.75 CCNC (0.50) P4HTMMMP2CCNCCDK8KDM4E
SCHEMBL4578523 0.74 PTGS1 (0.43) CCNCCDK8KDM4ENPC1MAPT

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 P4HTM 3280/4885MMP2 900/4885CCNC 289/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 P4HTM 3280/4885MMP2 900/4885CCNC 289/4885

“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.