SCHEMBL502080

SCHEMBL502080

N#C/C=C/c1cc(Cl)cc(CC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AHR P35869 1/20 0.33
FDPS P14324 1/20 0.33
ENPP2 Q13822 1/20 0.33
AKR1C3 P42330 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL502081 1.00 KDM4E (0.36) KDM4ETDP1AHRFDPSENPP2
SCHEMBL7429376 0.81 AHR (0.48) KDM4EAHRFDPSENPP2LMNA
SCHEMBL3606954 0.81 AHR (0.48) KDM4EAHRFDPSENPP2LMNA
SCHEMBL3606956 0.81 AHR (0.48) KDM4EAHRFDPSENPP2LMNA
SCHEMBL501499 0.81 AKR1C3 (0.39) KDM4ETDP1FDPSENPP2AKR1C3
SCHEMBL501498 0.81 AKR1C3 (0.39) KDM4ETDP1FDPSENPP2AKR1C3
SCHEMBL25369125 0.79 KDM4E (0.38) KDM4ETDP1NPC1LMNAMAPT
SCHEMBL30511585 0.79 KDM4E (0.38) KDM4ETDP1NPC1LMNAMAPT
SCHEMBL25369080 0.79 KDM4E (0.38) KDM4ETDP1NPC1LMNAMAPT
SCHEMBL30694805 0.79 KDM4E (0.38) KDM4ETDP1NPC1LMNAMAPT

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 5 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
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
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 KDM4E 1269/4885TDP1 143/4885AHR 4727/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H KDM4E 1234/4885TDP1 147/4885AHR 4719/4885

“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.