SCHEMBL501389

SCHEMBL501389

COc1ccc(CNc2cc(CO)cc(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.49
PTGDR Q13258 1/20 0.48
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
HRH4 Q9H3N8 1/20 0.46
DYRK1A Q13627 2/20 0.45
TSHR P16473 1/20 0.45
CLK1 P49759 2/20 0.44
PRUNE1 Q86TP1 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
VNN1 O95497 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL24460958 0.85 CLK4 (0.53) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL501215 0.85 DYRK1A (0.52) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL7168206 0.83 CLK4 (0.51) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL24272809 0.83 CLK1 (0.52) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL20637881 0.82 CLK4 (0.50) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL29880059 0.82 CLK4 (0.50) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL115440 0.82 CLK4 (0.50) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL17581355 0.81 CLK4 (0.49) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL3717932 0.80 ALDH1A1 (0.57) CLK4PTGDRNPC1MAPTRAB9A
SCHEMBL22122521 0.80 PDE5A (0.56) CLK4PTGDRNPC1MAPTRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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 (2 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H CLK4 4115/4885PTGDR 4011/4885NPC1 944/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H CLK4 4116/4885PTGDR 3996/4885NPC1 942/4885

“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.