SCHEMBL4581989

SCHEMBL4581989

O=C(NC1CCCCC1=O)c1ccc2cncc(Br)c2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 3/20 0.32
RIPK1 Q13546 1/20 0.32
TSHR P16473 1/20 0.31
SSTR3 P32745 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4580528 0.83 CCNC (0.44) CCNCCDK8PIM1ALDH1A1KDM4E
SCHEMBL4580627 0.80 SMYD3 (0.42) CCNCCDK8CNR1PIM1
SCHEMBL4581749 0.79 CCNC (0.39) CCNCCDK8PIM1
SCHEMBL4728279 0.72 ALDH1A1 (0.47) CCNCCDK8ALDH1A1KDM4E
SCHEMBL4579695 0.72 CCNC (0.52) CCNCCDK8CNR1
SCHEMBL1319809 0.70 CCNC (0.49) CCNCCDK8PIM1TSHR
SCHEMBL15742867 0.69 CNR1 (0.39) CCNCCDK8CNR1CA12CA1
SCHEMBL578828 0.68 CCNC (0.47) POLBCCNCCDK8ALDH1A1TSHR
SCHEMBL29850571 0.68 CCNC (0.47) POLBCCNCCDK8ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4580182 0.67 CCNC (0.46) POLBCCNCCDK8ALDH1A1TSHR

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 6 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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 US claimed
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

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 POLB 2026/4885TAS1R3 1752/4885TAS1R1 1149/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 POLB 2026/4885TAS1R3 1752/4885TAS1R1 1149/4885

“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.