SCHEMBL4580178

SCHEMBL4580178

O=C(Cl)c1ccc2cncc(Br)c2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.35
CDK8 P49336 11/20 0.35
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL29850571 0.84 CCNC (0.47) CCNCCDK8KDM4EKMT2AALDH1A1
SCHEMBL578828 0.84 CCNC (0.47) CCNCCDK8KDM4EKMT2AALDH1A1
SCHEMBL12114716 0.83 CCNC (0.37) CCNCCDK8KDM4EKMT2AALDH1A1
SCHEMBL10138247 0.83 CCNC (0.40) CCNCCDK8ALDH1A1
SCHEMBL1319809 0.83 CCNC (0.49) CCNCCDK8KMT2APIM1
Hydrochloric Acid SCHEMBL4580182 0.83 CCNC (0.46) CCNCCDK8KDM4EKMT2AALDH1A1
SCHEMBL4580779 0.79 MAPK1 (0.42) CCNCCDK8KDM4EALDH1A1
SCHEMBL4579695 0.79 CCNC (0.52) CCNCCDK8
SCHEMBL4728279 0.79 ALDH1A1 (0.47) CCNCCDK8KDM4EALDH1A1
SCHEMBL17437118 0.75 CCNC (0.56) CCNCCDK8ALDH1A1PIM1

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 7 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-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
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-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 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 CCNC 289/4885CDK8 516/4885KDM4E 3744/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885KDM4E 3744/4885

“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.