SCHEMBL1343940

SCHEMBL1343940

[CH2]c1n[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.44
▸ AXL P30530 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ MET P08581 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NUDT1 P36639 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL1495296 0.77 PDPK1 (0.48) GPR84AXLAURKAPARP1KDM4E
SCHEMBL174642 0.77 PDPK1 (0.48) GPR84AXLAURKAPARP1KDM4E
SCHEMBL30631993 0.77 PDPK1 (0.48) GPR84AXLAURKAPARP1KDM4E
SCHEMBL174792 0.75 AXL (0.41) GPR84AXLAURKAPARP1MET
SCHEMBL29484299 0.75 AXL (0.41) GPR84AXLAURKAPARP1MET
SCHEMBL1639471 0.75 AXL (0.41) GPR84AXLAURKAPARP1MET
SCHEMBL30204060 0.75 AXL (0.50) GPR84AXLAURKAPARP1MET
SCHEMBL253764 0.75 NPC1 (0.43) GPR84AXLAURKAPARP1KDM4E
SCHEMBL1593049 0.75 AXL (0.50) GPR84AXLAURKAPARP1MET
SCHEMBL1573790 0.75 AXL (0.41) GPR84AXLAURKAPARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063064-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-11-22 — — US disclosed
EP-2057125-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 — — EP disclosed
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KENNEDY-SMITH JOSHUA 2011-03-10 — — US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 — — EP disclosed
US-7713974-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-05-11 — — US disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 — — EP disclosed
EP-2057125-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-05-13 — — EP disclosed
US-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-11-27 — — US disclosed
US-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-02-21 — — US disclosed
WO-2008019968-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 — — 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 (3 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-20080045511-A1 Non-nucleoside reverse transcriptase inhibitors ADORA2B, ADORA1, ADORA3 GPR84 1282/4885AXL 3524/4885AURKA 1532/4885
US-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors XDH, REV1, RTF1 GPR84 2658/4885AXL 3355/4885AURKA 3700/4885
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RPIA, ADORA2B, NQO2 GPR84 1530/4885AXL 3295/4885AURKA 1960/4885

“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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