SCHEMBL3515438

SCHEMBL3515438

CCOC(=O)c1c(-c2cc(CCc3ccccc3F)cc(-c3ccc(CN)cc3)c2)c2cccnc2n(O)c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.34
PDE5A O76074 3/20 0.34
GNRHR P30968 2/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGER4 P35408 1/20 0.33
ELANE P08246 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3514518 0.85 MAOB (0.41) KMT2ANPC1MEN1RAB9ALMNA
SCHEMBL3515441 0.82 MEN1 (0.38) KMT2AMEN1LMNASMN1; SMN2ALOX5
SCHEMBL3517570 0.78 MEN1 (0.39) KMT2AMEN1LMNASMN1; SMN2ELANE
SCHEMBL3514327 0.77 MEN1 (0.40) KMT2ANPC1MEN1RAB9ALMNA
SCHEMBL3515865 0.73 MEN1 (0.42) KMT2ANPC1MEN1RAB9ALMNA
SCHEMBL3517897 0.70 ALOX5 (0.41) NPC1ALOX5
SCHEMBL3518051 0.69 MEN1 (0.48) KMT2AMEN1SMN1; SMN2ALOX5ELANE
SCHEMBL3517498 0.69 ELANE (0.45) KMT2AMEN1ELANEMAOBKDM4E
SCHEMBL3514525 0.68 ALDH1A1 (0.55) KMT2AMEN1LMNASMN1; SMN2ELANE
SCHEMBL3516366 0.66 MEN1 (0.41) KMT2ANPC1MEN1RAB9ALMNA

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 1 patent. 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

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 ADORA1 1075/4885PDE5A 2933/4885GNRHR 2418/4885

“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.