SCHEMBL501361

SCHEMBL501361

CC(C)(C)[SiH2]OC(C)(C)c1cccc(CC#N)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
MMP3 P08254 2/20 0.38
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
FFAR1 O14842 1/20 0.32
ACP1 P24666 1/20 0.31
IDO1 P14902 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL501379 0.80 PRKCA (0.37) ENPP2MEN1KMT2AIDO1CYP1A2
SCHEMBL501827 0.79
SCHEMBL9967842 0.77 ENPP2 (0.49) ENPP2MMP3KDM4ETDP1ATM
SCHEMBL481292 0.77 KIF11 (0.38) ENPP2
SCHEMBL4742321 0.75 CYP1A2 (0.57) KDM4ETDP1MEN1KMT2ACYP1A2
SCHEMBL25101384 0.73 ENPP2 (0.45) ENPP2MMP3KDM4ETDP1ATM
SCHEMBL4783565 0.72 PRKCI (0.43)
SCHEMBL840466 0.71 ESR1 (0.39)
SCHEMBL30096354 0.71 TAAR1 (0.55) ENPP2MMP3KDM4EMEN1KMT2A
SCHEMBL38024 0.71 TAAR1 (0.55) ENPP2MMP3KDM4EMEN1KMT2A

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 ENPP2 1664/4885MMP3 544/4885KDM4E 1269/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H ENPP2 1679/4885MMP3 540/4885KDM4E 1234/4885

“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.