SCHEMBL501380

SCHEMBL501380

COc1ccc(CN(C(=O)C(F)(F)F)c2cc(F)cc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.44
SNCA P37840 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
CNR1 P21554 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C8 P10632 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCL2A1 Q16548 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NSD2 O96028 1/20 0.37

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
SCHEMBL934298 0.86 PTGDR2 (0.59) TSPOPTGDR2SNCALTB4R2CYP2C9
SCHEMBL933357 0.82 PTGDR2 (0.61) PTGDR2LTB4R2CYP2C9CYP2C19CYP2C8
SCHEMBL933423 0.79 PTGDR2 (0.61) PTGDR2LTB4R2CYP2C9CYP2C19CYP2C8
SCHEMBL935194 0.76 PTGDR2 (0.63) PTGDR2LTB4R2CYP2C9CYP2C19CYP2C8
SCHEMBL933936 0.75 PTGDR2 (0.59) PTGDR2LTB4R2CYP2C9CYP2C19CYP2C8
SCHEMBL934229 0.74 PTGDR2 (0.61) TSPOPTGDR2CYP2C9CYP2C19CYP2C8
SCHEMBL28399892 0.74 BCL2A1 (0.65) TSPOMEN1KMT2AALDH1A1BCL2A1
SCHEMBL935225 0.74 PTGDR2 (0.62) PTGDR2CYP2C9CYP2C19CYP2C8
SCHEMBL934274 0.73 PTGDR2 (0.57) PTGDR2LTB4R2CYP2C9CYP2C19CYP2C8
SCHEMBL933279 0.72 PTGDR2 (0.45) PTGDR2LTB4R2CYP2C9CYP2C19CYP2C8

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 8 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
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP 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 (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 TSPO 3844/4885PTGDR2 4277/4885SNCA 4452/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H TSPO 3870/4885PTGDR2 4269/4885SNCA 4426/4885

“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.