SCHEMBL501413

SCHEMBL501413

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 2/20 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
HSD17B10 Q99714 1/20 0.32
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
SCHEMBL501388 0.93 P2RX3 (0.34) KMT2AMEN1TDP1HPGDTSHR
SCHEMBL10204266 0.93 KMT2A (0.36) KMT2AMEN1TDP1TPH1TPH2
SCHEMBL10204271 0.92 TPH1 (0.33) KMT2AMEN1TDP1TPH1TPH2
SCHEMBL10264718 0.92 KMT2A (0.34) KMT2AMEN1TDP1TPH1TPH2
SCHEMBL10204301 0.91 KDM4E (0.35) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL6088109 0.90 KMT2A (0.37) KMT2AMEN1TDP1TPH1TPH2
SCHEMBL6085657 0.89 GRIN1 (0.36) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL10204434 0.89 P2RX3 (0.36) KMT2AMEN1HPGDTSHRKDM4E
SCHEMBL10204604 0.88
SCHEMBL14292273 0.87 KMT2A (0.33) KMT2AMEN1TDP1HPGDHSD17B10

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 12 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
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
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
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 KMT2A 1928/4885MEN1 4857/4885TDP1 143/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H KMT2A 1865/4885MEN1 4857/4885TDP1 147/4885

“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.