Sugi Predict

Sugi Predict / Compounds / SCHEMBL501525

SCHEMBL501525

SCHEMBL501525

COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(C#N)c4)c(N(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 4/20 0.38
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33

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
SCHEMBL502017 0.90 VNN1 (0.38) VNN1GRIN1GRIN2BGSK3BTSHR
SCHEMBL10204810 0.89 VNN1 (0.38) VNN1GRIN1GRIN2BGSK3BTSHR
SCHEMBL501464 0.89 VNN1 (0.37) VNN1GRIN1GRIN2BGSK3BTSHR
SCHEMBL501998 0.88 VNN1 (0.37) VNN1GRIN1GRIN2BGSK3BTSHR
SCHEMBL501523 0.85 VNN1 (0.39) VNN1GRIN1GRIN2BGSK3BTSHR
SCHEMBL501373 0.82 KMT2A (0.36) POLBMEN1KMT2A
SCHEMBL501909 0.82 POLB (0.36) VNN1GRIN1GRIN2BGSK3BDYRK1A
SCHEMBL501507 0.80 AKR1C3 (0.34) GSK3BTSHRDYRK1APOLBCDC7
SCHEMBL501506 0.80 AKR1C3 (0.34) GSK3BTSHRDYRK1APOLBCDC7
SCHEMBL501363 0.79 VNN1 (0.37) VNN1GRIN1GRIN2BGSK3BTSHR

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 6 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
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 VNN1 1614/4885GRIN1 2439/4885GRIN2B 2882/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H VNN1 1673/4885GRIN1 2377/4885GRIN2B 2787/4885

“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.