SCHEMBL501388

SCHEMBL501388

Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
TSHR P16473 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
PSMD14 O00487 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 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
SCHEMBL10204434 0.94 P2RX3 (0.36) P2RX3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL14292273 0.94 KMT2A (0.33) P2RX3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL501413 0.93 KMT2A (0.35) P2RX3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10204284 0.89 MAPK1 (0.34) P2RX3ALDH1A1SMN1; SMN2HDAC1HDAC8
SCHEMBL6086806 0.87 KMT2A (0.34) P2RX3ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10204266 0.87 KMT2A (0.36) KMT2AMEN1TDP1POLB
SCHEMBL10204417 0.86 L3MBTL1 (0.34) ALDH1A1SMN1; SMN2HPGDHSD17B10GAA
SCHEMBL10204301 0.86 KDM4E (0.35) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL10204422 0.86 KMT2A (0.34) ALDH1A1SMN1; SMN2HPGDHSD17B10GAA
SCHEMBL10204271 0.85 TPH1 (0.33) KMT2AMEN1CYP3A4CYP2C9PKM

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 P2RX3 4157/4885ALDH1A1 2535/4885SMN1; SMN2 2526/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H P2RX3 4191/4885ALDH1A1 2541/4885SMN1; SMN2 2488/4885

“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.