SCHEMBL4100661

SCHEMBL4100661

Cc1cc(-c2ccncc2)cc(C)c1Oc1nc(Cl)nc2[nH]ncc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CLK1 P49759 1/20 0.37
▸ TLR8 Q9NR97 2/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ SGK1 O00141 5/20 0.32
▸ BRAF P15056 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ TLR7 Q9NYK1 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ METAP2 P50579 3/20 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
SCHEMBL13517751 0.81 CLK1 (0.35) CLK1TLR8BRAFMETAP2
SCHEMBL13561245 0.81 HTR2C (0.39) PLK4PAK4CLK1TLR8BTK
SCHEMBL4100811 0.77 CYP2C19 (0.51) PLK4PAK4SGK1DRD1
SCHEMBL29564085 0.69 PLK4 (0.46) PLK4PAK4PDE2ABTKSGK1
SCHEMBL16052607 0.69 PLK4 (0.46) PLK4PAK4PDE2ABTKSGK1
SCHEMBL18394456 0.66 PLK4 (0.43) PLK4PAK4PDE2A
SCHEMBL61883 0.64 PLK4 (0.53) PLK4PAK4PDE2ABTKSGK1
SCHEMBL11936689 0.62 CYP2C9 (0.56) PLK4PAK4SGK1DRD1
SCHEMBL14379375 0.61 MAPT (0.55) —
SCHEMBL17933800 0.61 SGK1 (0.51) PLK4PAK4PDE2ASGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 — — WO disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — 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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP PLK4 1920/4885PAK4 2967/4885CLK1 4209/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP PLK4 1920/4885PAK4 2967/4885CLK1 4209/4885

“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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