SCHEMBL3517587

SCHEMBL3517587

O=c1c2ccc(-c3ccccc3)cc2c2cccnc2n1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GRK2 P25098 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.37
BRD4 O60885 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
KAT2B Q92831 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL3515995 0.88 ALDH1A1 (0.44) PDE4AALDH1A1TSHRMAPTNPSR1
SCHEMBL3517696 0.77 ALDH1A1 (0.40) ALDH1A1TSHRMAPTBRD4MEN1
SCHEMBL3516280 0.76 FEN1 (0.50) ALDH1A1TSHRBRD4MEN1KMT2A
SCHEMBL3514631 0.73 ALDH1A1 (0.41) PDE4AALDH1A1TSHRMAPTNPSR1
SCHEMBL3515379 0.73 KDM4E (0.45) ALDH1A1TSHRMAPTNPSR1MEN1
SCHEMBL3517464 0.73 MEN1 (0.39) PDE4AALDH1A1TSHRMAPTMEN1
SCHEMBL3514741 0.72 PTGDR2 (0.49) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL4324294 0.72 ALDH1A1 (0.40) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL3515392 0.72 KDM4E (0.39) PDE4AALDH1A1TSHRMAPTBRD4
SCHEMBL3519074 0.72 PIK3CD (0.44) ALDH1A1TSHRMAPTMEN1KMT2A

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 PDE4A 1784/4885PDE4B 2072/4885PDE4C 1699/4885

“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.