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Sugi Predict / Compounds / SCHEMBL501395

SCHEMBL501395

SCHEMBL501395

COc1ccc(CNc2cc(Cn3c(Oc4cc(C)cc(C#N)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34

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
SCHEMBL501639 0.93 POLB (0.38) GRIN1GRIN2BPOLBMAPTALDH1A1
SCHEMBL501674 0.92 GRIN1 (0.38) GRIN1GRIN2BPIK3R1PIK3CATSHR
SCHEMBL10204641 0.90 GRIN1 (0.37) GRIN1GRIN2BPIK3R1PIK3CATSHR
SCHEMBL10204638 0.89 GRIN1 (0.38) GRIN1GRIN2BPIK3R1PIK3CAPOLB
SCHEMBL501580 0.89 POLB (0.35) GRIN1GRIN2BTSHRPOLBMAPT
SCHEMBL501579 0.89 POLB (0.35) GRIN1GRIN2BTSHRPOLBMAPT
SCHEMBL501294 0.88 POLB (0.36) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL501335 0.85 PDE1A (0.34) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL10204288 0.83 TLR7 (0.33) GRIN1GRIN2BALDH1A1KDM4EHPGD
SCHEMBL501531 0.82 POLB (0.34) GRIN1GRIN2BTSHRPOLBMAPT

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 5 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-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

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 GRIN1 2439/4885GRIN2B 2882/4885PIK3R1 493/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H GRIN1 2377/4885GRIN2B 2787/4885PIK3R1 476/4885

“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.