SCHEMBL173984

SCHEMBL173984

O=C(c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)c2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.47
AURKB Q96GD4 2/20 0.47
PAK4 O96013 3/20 0.41
PAK1 Q13153 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
NQO2 P16083 1/20 0.37
HDAC3 O15379 1/20 0.36
ACHE P22303 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL174680 0.89 AURKA (0.58) AURKAAURKBADORA3MAPK1
SCHEMBL174337 0.87 AURKA (0.49) AURKAAURKBPAK4PAK1ADORA3
SCHEMBL174971 0.85 AURKA (0.49) AURKAAURKBADORA3PTGS1MAPK1
SCHEMBL174917 0.83 AURKA (0.61) AURKAAURKBADORA3PTGS1MAPK1
SCHEMBL174382 0.82 AURKA (0.71) AURKAAURKBPAK4ADORA3NTRK1
SCHEMBL173989 0.81 AURKA (0.58) AURKAAURKB
SCHEMBL174455 0.80 AURKA (0.42) AURKAAURKBADORA3PTGS1MAPK1
SCHEMBL174933 0.79 AURKA (0.40) AURKAAURKBADORA3PTGS1MAPK1
SCHEMBL174333 0.78 AURKA (0.47) AURKAAURKBPDE10A
SCHEMBL174137 0.76 KDM4E (0.45) AURKAAURKBADORA3PTGS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US disclosed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US disclosed
US-8927711-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2015-01-06 US disclosed
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP disclosed
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2013-09-19 US disclosed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
EP-2401267-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-01-04 EP disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 US disclosed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 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 (4 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-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 AURKA 623/4885AURKB 456/4885PAK4 604/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 AURKA 623/4885AURKB 456/4885PAK4 604/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 AURKA 623/4885AURKB 456/4885PAK4 604/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 AURKA 3998/4885AURKB 3304/4885PAK4 2012/4885

“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.