SCHEMBL4580708

SCHEMBL4580708

COc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(S(C)(=O)=O)cc4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.49
MAPK9 P45984 4/20 0.49
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.47
MAPK10 P53779 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 3/20 0.45
HDAC1 Q13547 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL15742715 0.89 CCR1 (0.48) MAPK8MAPK9MAPK10CYP2C9HPGD
SCHEMBL4580114 0.88 MAPK8 (0.47) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL15747584 0.87 RAB9A (0.51) TP53RAB9AMAPTCYP2C9HDAC1
SCHEMBL5266567 0.87 RAB9A (0.52) TP53RAB9AMAPTCYP2C9HDAC1
SCHEMBL4581180 0.84 RAB9A (0.48) TP53RAB9AMAPTCYP2C9HDAC1
SCHEMBL15742742 0.84 CCNC (0.46) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL4580768 0.83 MAPK8 (0.54) MAPK8MAPK9MAPK10CYP2C9NAMPT
SCHEMBL15742892 0.83 RAB9A (0.61) TP53RAB9AALDH1A1POLBHPGD
SCHEMBL17437248 0.83 CCNC (0.67) MAPK8RAB9ACCNCCDK8
SCHEMBL15747596 0.81 MAPK8 (0.46) MAPK8MAPK9MAPK10CYP2C9NAMPT

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 MAPK8 2136/4885MAPK9 2109/4885TP53 80/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 MAPK8 2136/4885MAPK9 2109/4885TP53 80/4885

“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.