SCHEMBL4580475

SCHEMBL4580475

COc1ccc(Nc2cncc3ccc(C(=O)O)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.48
AKR1C2 P52895 7/20 0.48
P4HTM Q9NXG6 1/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 2/20 0.42
ABL1 P00519 1/20 0.42
YES1 P07947 1/20 0.42
PIM1 P11309 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4578523 0.89 PTGS1 (0.43) AKR1C3AKR1C2PTGS1PTGS2HDAC3
SCHEMBL4580442 0.86 P4HTM (0.43) AKR1C3AKR1C2P4HTMPTGS1PTGS2
SCHEMBL4580845 0.84 MMP2 (0.46) P4HTMPIM1MAPTKMT2A
SCHEMBL4579031 0.83 CNR1 (0.45) PTGS1PTGS2GSK3AGSK3BGAA
SCHEMBL4579533 0.83 ADRA2A (0.47) GSK3AGSK3BMEN1LMNAKMT2A
SCHEMBL4581123 0.80 TAS2R14 (0.43) AKR1C3AKR1C2GSK3AGSK3BNPC1
SCHEMBL15741581 0.78 CCNC (0.62) SLC22A12SMN1; SMN2MAPTALDH1A1CHEK1
SCHEMBL4581518 0.78 MAPT (0.61) MAPK1GAASMN1; SMN2MAPTHSD17B10
SCHEMBL4582757 0.77 GSK3A (0.42) GSK3AGSK3BNPC1ALDH1A1RAB9A
SCHEMBL4581447 0.77 CCNC (0.39) P4HTMMAPTALDH1A1MEN1LMNA

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 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
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 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 AKR1C3 121/4885AKR1C2 209/4885P4HTM 3280/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 AKR1C3 121/4885AKR1C2 209/4885P4HTM 3280/4885

“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.