SCHEMBL501776

SCHEMBL501776

Cc1cc(C=O)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.35
KDM4E B2RXH2 6/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TLR7 Q9NYK1 2/20 0.32
HPGD P15428 4/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
PSMD14 O00487 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 2/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GLA P06280 1/20 0.30
PDE10A Q9Y233 1/20 0.30
XBP1 P17861 1/20 0.30
POLB P06746 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
SCHEMBL10204548 0.88 TYMS (0.32) TYMSKDM4EMAPTTDP1TLR7
SCHEMBL10264402 0.85 TLR7 (0.34) TLR7
SCHEMBL10268479 0.82 TLR7 (0.32) TLR7
SCHEMBL10204550 0.82 TYMS (0.33) TYMSKDM4EMAPTTDP1TLR7
SCHEMBL501116 0.82 TLR7 (0.35) TYMSKDM4EMAPTTDP1TLR7
SCHEMBL6086817 0.82 HPGD (0.43) KDM4EMAPTTLR7HPGDKMT2A
SCHEMBL13485684 0.81 TLR7 (0.33) TLR7HPGD
SCHEMBL6086769 0.81 GRIN1 (0.43) TLR7HPGDKMT2AMEN1ALDH1A1
SCHEMBL6087128 0.80 TPH1 (0.34) KDM4EMAPTTLR7HPGDKMT2A
SCHEMBL501294 0.80 POLB (0.36) TYMSKDM4EMAPTTDP1TLR7

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 9 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-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-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
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 TYMS 29/4885KDM4E 1269/4885MAPT 296/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H TYMS 28/4885KDM4E 1234/4885MAPT 293/4885

“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.