SCHEMBL501688

SCHEMBL501688

OCc1cc(F)nc(Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
IDH1 O75874 1/20 0.41
BRD4 O60885 5/20 0.40
FYN P06241 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
CALM1 P0DP23 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36

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
SCHEMBL111596 0.77 ALDH1A1 (0.43) BRD4ALDH1A1L3MBTL1LMNAGAA
SCHEMBL501550 0.76 NUDT1 (0.43) TSHRL3MBTL1LMNASMN1; SMN2TDP1
SCHEMBL501367 0.74 ACHE (0.43) TSHRL3MBTL1LMNAGAA
SCHEMBL27769290 0.73 LTA4H (0.49) TSHRIDH1BRD4FYNALDH1A1
SCHEMBL5115091 0.73 RECQL (0.50) TSHRIDH1FYNALDH1A1L3MBTL1
SCHEMBL19448475 0.72 BRD4 (0.72) BRD4
SCHEMBL25205794 0.72 BRD4 (0.49) BRD4ALDH1A1L3MBTL1LMNAGAA
SCHEMBL5109065 0.69 FYN (0.52) TSHRIDH1FYNALDH1A1L3MBTL1
SCHEMBL5106055 0.68 BRD4 (0.53) TSHRBRD4FYNALDH1A1L3MBTL1
SCHEMBL2370728 0.68 L3MBTL1 (0.51) ALDH1A1L3MBTL1LMNASMN1; SMN2RAB9A

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 6 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
CN-101495461-A Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES INC (US) 2009-07-29 CN 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 TSHR 4747/4885IDH1 633/4885BRD4 724/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H TSHR 4756/4885IDH1 618/4885BRD4 695/4885

“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.