SCHEMBL3822064

SCHEMBL3822064

Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(C=CN(C)C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
CYP3A4 P08684 2/20 0.38
KCNH2 Q12809 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ABCC3 O15438 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 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
SCHEMBL3822058 1.00 MAPT (0.39) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL13798731 0.91 CYP2C9 (0.38) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL3838724 0.85 ABCG2 (0.35) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL3838720 0.85 ABCG2 (0.35) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL4111714 0.85 CYP2C9 (0.51) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL4111710 0.85 CYP2C9 (0.51) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL10476659 0.85 MAPT (0.34) MAPTRAB9ALMNANPC1MEN1
SCHEMBL10195625 0.84 L3MBTL1 (0.55) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL13798730 0.75 L3MBTL1 (0.53) MAPTRAB9ALMNANPC1CYP2C9
SCHEMBL3829826 0.73 L3MBTL1 (0.50) MAPTRAB9ALMNANPC1ABCG2

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 7 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-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
EP-2220091-A2 REVERSE TRANSCRIPTASE INHIBITORS Ardea Biosciences, Inc. (US) 2010-08-25 EP 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

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 MAPT 1376/4885RAB9A 3444/4885LMNA 1293/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP MAPT 1376/4885RAB9A 3444/4885LMNA 1293/4885

“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.