SCHEMBL3515919

SCHEMBL3515919

CCOC(=O)c1c(O)c2c(-c3cccc(CN(C)C)c3)ccnc2n(O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
BRAF P15056 1/20 0.38
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
GAA P10253 3/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADORA2A P29274 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL3515889 0.85 NPC1 (0.48) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL3516138 0.85 KDM4E (0.46) GAAPDE4DGPR119KDM4EALDH1A1
SCHEMBL3515909 0.78 MAPT (0.38) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL3519526 0.75 KDM4E (0.45) KDRGAAGPR119KDM4EALDH1A1
SCHEMBL3519528 0.75 NPC1 (0.43) GAAGPR119KDM4EALDH1A1LMNA
SCHEMBL3514525 0.70 ALDH1A1 (0.55) GAAKDM4EALDH1A1LMNA
SCHEMBL30305168 0.68 GABRA1 (0.45) GAAGPR119KDM4EALDH1A1
SCHEMBL3519481 0.67 KDM4E (0.51) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL3518359 0.67 KDM4E (0.48) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL3519310 0.67 KDM4E (0.44) GAAKDM4EALDH1A1LMNAMAPT

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 4 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
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 KIT 3878/4885PDGFRA 4766/4885KDR 3631/4885

“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.