SCHEMBL501760

SCHEMBL501760

COC(=O)c1cc(Cn2c(C(=O)c3cc(C)cc(C#N)c3)c(C(C)C)c(=O)[nH]c2=O)ccn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
ACACB O00763 1/20 0.33
IDH1 O75874 1/20 0.32
AR P10275 1/20 0.32
TDP2 O95551 1/20 0.32
USP1 O94782 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GNRHR P30968 1/20 0.31
P2RX3 P56373 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
SCHEMBL10204401 0.91 SLC2A1 (0.34) GRIN1GRIN2BKDM4EALDH1A1PKM
SCHEMBL13485643 0.90 USP1 (0.33) GRIN1GRIN2BKDM4EALDH1A1PKM
SCHEMBL10264302 0.88 USP1 (0.35) GRIN1GRIN2BKDM4EALDH1A1PKM
SCHEMBL10204377 0.87 USP1 (0.34) GRIN1GRIN2BKDM4EALDH1A1PKM
SCHEMBL10204395 0.87 MEN1 (0.34) TLR7KDM4EALDH1A1PKMUSP1
SCHEMBL501548 0.87 GRIN1 (0.34) GRIN1GRIN2BTLR7KDM4EALDH1A1
SCHEMBL501300 0.86 KDM4E (0.35) KDM4EALDH1A1PKMUSP1
SCHEMBL10204379 0.85 ATM (0.32) GRIN1GRIN2BTLR7KDM4EALDH1A1
SCHEMBL10204774 0.84 VNN1 (0.35) GRIN1GRIN2BKDM4EALDH1A1PKM
SCHEMBL502211 0.82 GRM5 (0.37) GRIN1GRIN2BKDM4EALDH1A1PKM

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-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
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 PARP1 232/4885GRIN1 2439/4885GRIN2B 2882/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H PARP1 229/4885GRIN1 2377/4885GRIN2B 2787/4885

“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.