SCHEMBL3517441

SCHEMBL3517441

O=c1cc(NCc2cccc(N3CCOCC3)n2)c2cccnc2n1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.49
PIK3CB P42338 11/20 0.49
PIK3CD O00329 8/20 0.49
CYP3A4 P08684 1/20 0.42
KIF18A Q8NI77 1/20 0.41
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
PIK3CG P48736 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL3515711 0.78 CTSB (0.46) PIK3CAPIK3CBPIK3CDCYP3A4KDM4E
SCHEMBL3516034 0.78 AURKA (0.43) PIK3CAPIK3CBPIK3CDKDM4E
SCHEMBL3515736 0.78 ACP1 (0.47) KDM4E
SCHEMBL3515097 0.75 SMN1; SMN2 (0.48) CYP3A4KDM4EUSP2KMT2A
SCHEMBL3516223 0.73 BACE1 (0.49) KDM4E
SCHEMBL3514710 0.72 P2RX7 (0.44) CYP3A4KDM4E
SCHEMBL3517421 0.72 ADRA2C (0.43) MEN1KMT2A
SCHEMBL3519288 0.70 HDAC3 (0.44) KDM4E
SCHEMBL3538616 0.70 KMT2A (0.46) CYP3A4KDM4EMEN1KMT2A
SCHEMBL3518012 0.69 SCN1A (0.44) MEN1KMT2A

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 PIK3CA 2050/4885PIK3CB 3326/4885PIK3CD 2576/4885

“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.