SCHEMBL3518219

SCHEMBL3518219

O=c1c(-c2ccccc2)c(O)c2cc(Br)cnc2n1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 5/20 0.41
RCE1 Q9Y256 1/20 0.41
GAA P10253 1/20 0.39
MAPK8 P45983 4/20 0.38
DYRK1B Q9Y463 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL3525616 0.86 KMT2A (0.43) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3515715 0.84 KMT2A (0.42) DPP4KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3517548 0.84 KMT2A (0.44) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL13435228 0.84 KDM4E (0.47) DPP4KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3516992 0.83 COMT (0.43) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3517390 0.81 KDM4E (0.41) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL3519936 0.81 IP6K1 (0.41) DPP4KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3519938 0.81 IP6K1 (0.41) DPP4KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3518784 0.81 KMT2A (0.42) DPP4KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3518351 0.81 KDM4E (0.47) DPP4KMT2ALMNASMN1; SMN2KDM4E

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 (1 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL DPP4 1558/4885KMT2A 2764/4885MEN1 3126/4885

“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.