SCHEMBL1716796

SCHEMBL1716796

Cc1cc(C)c(Sc2nc(F)nc3ccn(Cc4ccccc4)c23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.39
▸ C5AR1 P21730 1/20 0.35
▸ P2RX7 Q99572 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ HTR6 P50406 3/20 0.34
▸ MAOB P27338 4/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL1715568 0.87 TLR7 (0.52) TLR7
SCHEMBL1715845 0.83 SRC (0.42) P2RX7LMNAHTR6NOTUM
SCHEMBL1715834 0.79 TLR7 (0.38) TLR7C5AR1P2RX7LMNABRD4
SCHEMBL1716350 0.77 MERTK (0.37) TLR7NR1I2
SCHEMBL1716410 0.68 TLR7 (0.35) TLR7P2RX7LMNABRD4
SCHEMBL11936684 0.68 TLR7 (0.35) TLR7P2RX7LMNABRD4MAOB
SCHEMBL1716899 0.67 TLR7 (0.50) TLR7
SCHEMBL10195502 0.67 TLR7 (0.48) TLR7BRD4HTR6MAOBTP53
SCHEMBL1716631 0.65 SCN9A (0.42) —
SCHEMBL1716292 0.65 SRC (0.49) P2RX7LMNATP53

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 16 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-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-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-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-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
EP-1877411-B9 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-08-29 — — EP disclosed
EP-1877411-B9 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-08-29 — — EP 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-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-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
EP-1877411-B1 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-01-18 — — EP disclosed
EP-1877411-B1 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-01-18 — — EP 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
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
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 2647/4885C5AR1 3991/4885P2RX7 470/4885
US-20090124802-A1 Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv PNP, TPMT, DUT TLR7 1536/4885C5AR1 2770/4885P2RX7 167/4885

“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.

Send feedback