SCHEMBL11936684

SCHEMBL11936684

[C-]#[N+]c1cc(C)c(Oc2nc(F)nc3ccn(Cc4ccccc4)c23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.35
▸ P2RX7 Q99572 7/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL1715834 0.89 TLR7 (0.38) TLR7P2RX7SMN1; SMN2LMNAMAOB
SCHEMBL11936686 0.88 TLR7 (0.46) TLR7KCNH2
SCHEMBL1716410 0.84 TLR7 (0.35) TLR7P2RX7SMN1; SMN2LMNABRD4
SCHEMBL1716899 0.76 TLR7 (0.50) TLR7KCNH2
SCHEMBL10251541 0.73 MAOB (0.36) TLR7P2RX7SMN1; SMN2MAOBBRD4
SCHEMBL4795625 0.73 TLR7 (0.36) TLR7P2RX7SMN1; SMN2MAOBBRD4
SCHEMBL1716243 0.72 TLR7 (0.46) TLR7KCNH2
SCHEMBL1716631 0.72 SCN9A (0.42) KCNH2
SCHEMBL1716384 0.71 P2RX7 (0.39) TLR7P2RX7SMN1; SMN2MEN1ALDH1A1
SCHEMBL1716796 0.68 TLR7 (0.39) TLR7P2RX7LMNAMAOBBRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354532-B2 Pyrrolo [2,3-D] pyrimidines as non-nucleoside reverse transcriptase inhibitors for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2013-01-15 — — US disclosed
US-20120226037-A1 PYRROLO [2,3-D] PYRIMIDINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES, INC. (US) 2012-09-06 — — US disclosed
US-8227601-B2 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of HIV ARDEA BIOSCIENCES, INC. (US) 2012-07-24 — — US disclosed
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv INTRABIOTICS PHARMACEUTICALS, INC. 2009-05-14 — — 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-20120226037-A1 PYRROLO [2,3-D] PYRIMIDINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV TYMP, TPMT, PNP TLR7 2647/4885P2RX7 470/4885SMN1; SMN2 3764/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT TLR7 1536/4885P2RX7 167/4885SMN1; SMN2 3886/4885

“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.

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