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SCHEMBL501304

SCHEMBL501304

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ SQOR Q9Y6N5 1/20 0.36
▸ GRM5 P41594 4/20 0.36
▸ MAOB P27338 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ 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 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
SCHEMBL3920261 0.95 GRM5 (0.37) MAPK9MAPK10SQORGRM5MAOB
SCHEMBL501908 0.86 SQOR (0.36) MAPK9MAPK10SQORGRM5MAOB
SCHEMBL501211 0.86 SQOR (0.35) MAPK9MAPK10SQORGRM5MAOB
SCHEMBL10264980 0.82 KDM4E (0.31) ALDH1A1HPGDHTTL3MBTL1
SCHEMBL502073 0.81 MAOB (0.40) SQORGRM5MAOBALDH1A1LMNA
SCHEMBL12752370 0.79 SQOR (0.36) MAPK9MAPK10SQORGRM5MAOB
SCHEMBL501518 0.78 LRRK2 (0.37) SQORMAOBALDH1A1LMNAHPGD
SCHEMBL12752569 0.74 MAOB (0.40) SQORGRM5MAOBALDH1A1LMNA
SCHEMBL501449 0.72 GAA (0.30) ALDH1A1
SCHEMBL7757602 0.71 ALDH1A1 (0.42) GRM5ALDH1A1LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167476-B1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RES INST CHEM TECH (KR) 2015-02-25 — — EP disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 — — US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 — — US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 — — US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 — — 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-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-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 — — US disclosed
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 — — EP 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-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 — — US disclosed
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 — — US disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
WO-2009005693-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO 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 (5 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H MAPK9 997/4885MAPK10 1494/4885SQOR 2309/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H MAPK9 997/4885MAPK10 1494/4885SQOR 2309/4885
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H MAPK9 1303/4885MAPK10 1603/4885SQOR 2017/4885
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H MAPK9 997/4885MAPK10 1494/4885SQOR 2309/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H MAPK9 1336/4885MAPK10 1627/4885SQOR 1998/4885

“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.