SCHEMBL10264403

SCHEMBL10264403

CCCCOc1nc(OCCCC)c(C(C)C)c(C(=O)c2cc(C)cc(C#N)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.36
MAPK9 P45984 1/20 0.36
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
AKR1B1 P15121 2/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
ACACB O00763 1/20 0.31
PLA2G2A P14555 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
MAP4K2 Q12851 1/20 0.30
PKN2 Q16513 1/20 0.30

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
SCHEMBL10264395 0.87 MAPK8 (0.36) MAPK8MAPK9PTGESALOX5PPARG
SCHEMBL10264606 0.86 MAPK8 (0.38) MAPK8MAPK9PTGESALOX5PPARG
SCHEMBL501518 0.82 LRRK2 (0.37) ALOX5HPGDALDH1A1ACACBTSHR
SCHEMBL1484443 0.82 LMNA (0.33) GAA
SCHEMBL12828518 0.80 KCNH2 (0.39) MAPK8MAPK9HPGDALDH1A1KDM4E
SCHEMBL10264980 0.77 KDM4E (0.31) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL501303 0.76 LMNA (0.32) MAPK8MAPK9GAA
SCHEMBL1484438 0.71 MRGPRX4 (0.32)
SCHEMBL501293 0.71 LRRK2 (0.38) HPGDTSHR
SCHEMBL501892 0.69 EGLN2 (0.38)

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-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 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-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAPK8 2684/4885MAPK9 1303/4885PTGES 3124/4885
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H MAPK8 2279/4885MAPK9 997/4885PTGES 2826/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H MAPK8 2693/4885MAPK9 1336/4885PTGES 3088/4885

“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.