SCHEMBL3514538

SCHEMBL3514538

O=C(c1cccc(-c2cc(=O)n(O)c3ncccc23)c1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
CLK2 P49760 1/20 0.47
CSNK1G2 P78368 1/20 0.47
MAP4K2 Q12851 1/20 0.47
ROCK1 Q13464 1/20 0.47
NTRK3 Q16288 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
AURKB Q96GD4 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL3515036 0.91 SLC6A7 (0.46) HPGDMEN1RAB9AKMT2AERN1
SCHEMBL3517681 0.80 PRKCI (0.47) PLK4ROS1FGFR1FLT1MARK3
SCHEMBL3516974 0.78 PDE4A (0.47) PLK4JAK2MAP4K4ROS1FGFR1
SCHEMBL3515874 0.78 TAF1 (0.47) JAK2MAP4K4ATRATRIPBRD4
SCHEMBL15730181 0.77 HPGD (0.57) HPGDPLK4JAK2MAP4K4ROS1
SCHEMBL3516434 0.76 TLR8 (0.41) BRD4
SCHEMBL15723970 0.75 HPGD (0.55) HPGDPLK4JAK2MAP4K4ROS1
SCHEMBL3517754 0.75 PIK3CD (0.52) MEN1KMT2APIK3CDRIPK1
SCHEMBL3523521 0.75 PDE4A (0.41) MEN1KMT2ATAF1RIPK1
SCHEMBL4460861 0.75 FEN1 (0.47) HPGDKMT2ABRD4

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 HPGD 986/4885PLK4 1009/4885JAK2 4599/4885

“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.