Sugi Predict

Sugi Predict / Compounds / SCHEMBL501211

SCHEMBL501211

SCHEMBL501211

Cc1cc(C#N)cc(C(C#N)c2nc(OCc3ccccc3)nc(OCc3ccccc3)c2C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.35
▸ GRM5 P41594 4/20 0.35
▸ MAOB P27338 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL501304 0.86 MAPK9 (0.36) SQORGRM5MAOBMAPK9MAPK10
SCHEMBL501908 0.86 SQOR (0.36) SQORGRM5MAOBMAPK9MAPK10
SCHEMBL10264972 0.83 KDM4E (0.31) ALDH1A1
SCHEMBL3920261 0.81 GRM5 (0.37) SQORGRM5MAOBMAPK9MAPK10
SCHEMBL501892 0.78 EGLN2 (0.38) SQORMAOBMRGPRX4
SCHEMBL12752370 0.78 SQOR (0.36) SQORGRM5MAOBMAPK9MAPK10
SCHEMBL502073 0.71 MAOB (0.40) SQORGRM5MAOBCNR1L3MBTL1
SCHEMBL501518 0.70 LRRK2 (0.37) SQORMAOBMRGPRX4ALDH1A1TSHR
SCHEMBL10264985 0.69 KDM4E (0.31) MAPK9L3MBTL1ALDH1A1
SCHEMBL501598 0.67 PIN1 (0.45) CNR1L3MBTL1ALDH1A1CYP1A2TSHR

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 SQOR 2017/4885GRM5 3810/4885MAOB 3308/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H SQOR 1998/4885GRM5 3760/4885MAOB 3276/4885

“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.