SCHEMBL4581447

SCHEMBL4581447

O=C(O)c1ccc2cncc(Nc3cc(Cl)cc(Cl)c3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MMP2 P08253 2/20 0.39
P4HTM Q9NXG6 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DHODH Q02127 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL4580845 0.83 MMP2 (0.46) CCNCCDK8MMP2P4HTMKMT2A
SCHEMBL4579533 0.82 ADRA2A (0.47) CCNCCDK8MMP2KMT2AKDM4E
SCHEMBL4581731 0.82 SMYD3 (0.40) CCNCCDK8CSNK2A1
SCHEMBL4580442 0.80 P4HTM (0.43) CCNCCDK8MMP2P4HTMKMT2A
SCHEMBL4582757 0.79 GSK3A (0.42) CCNCCDK8MMP2KMT2AKDM4E
SCHEMBL4581123 0.77 TAS2R14 (0.43) CCNCCDK8MMP2KDM4E
SCHEMBL4580475 0.77 AKR1C3 (0.48) P4HTMKMT2AMEN1ALDH1A1LMNA
SCHEMBL5183236 0.76 MPO (0.50) MMP2KMT2AMEN1ALDH1A1LMNA
SCHEMBL4580993 0.74 KDM4E (0.41) CCNCCDK8MMP2KMT2AKDM4E
SCHEMBL6641803 0.74 CCNC (0.47) CCNCCDK8MMP2P4HTMKMT2A

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 CCNC 289/4885CDK8 516/4885MMP2 900/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885MMP2 900/4885

“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.