SCHEMBL501423

SCHEMBL501423

COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(C=CC#N)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 3/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PDE9A O76083 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
HDAC1 Q13547 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
SCHEMBL501422 1.00 AKR1C3 (0.33) AKR1C3POLBMAPTKDM4ETDP1
SCHEMBL501737 0.93 AKR1C3 (0.33) AKR1C3POLBMAPTKDM4ETDP1
SCHEMBL501738 0.93 AKR1C3 (0.33) AKR1C3POLBMAPTKDM4ETDP1
SCHEMBL501864 0.90 TP53 (0.37) POLBMAPTKDM4ETDP1ALDH1A1
SCHEMBL501382 0.88 TP53 (0.36) POLBMAPTKDM4ETDP1ALDH1A1
SCHEMBL501580 0.87 POLB (0.35) POLBMAPTKDM4EALDH1A1MEN1
SCHEMBL501579 0.87 POLB (0.35) POLBMAPTKDM4EALDH1A1MEN1
SCHEMBL501780 0.87 TP53 (0.37) POLBMAPTKDM4ETDP1ALDH1A1
SCHEMBL10204614 0.85 KDM4E (0.31) AKR1C3KDM4EMEN1KMT2AHPGD
SCHEMBL501623 0.85 MAPT (0.36) POLBMAPTKDM4ETDP1ALDH1A1

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 3 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-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

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 AKR1C3 1833/4885POLB 7/4885MAPT 296/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H AKR1C3 1848/4885POLB 6/4885MAPT 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.