SCHEMBL174337

SCHEMBL174337

O=C(c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)c2ccc(Br)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.49
AURKB Q96GD4 2/20 0.44
NTRK1 P04629 2/20 0.39
CSNK2A1 P68400 4/20 0.36
ADORA3 P0DMS8 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GPR35 Q9HC97 1/20 0.34
TTBK1 Q5TCY1 1/20 0.34
TTBK2 Q6IQ55 1/20 0.34
GRM5 P41594 1/20 0.33
PAK4 O96013 1/20 0.33
PAK1 Q13153 1/20 0.33
F2 P00734 1/20 0.33
PDE10A Q9Y233 1/20 0.33
EGFR P00533 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
SCHEMBL174971 0.88 AURKA (0.49) AURKAAURKBCSNK2A1ADORA3PTGS1
SCHEMBL173984 0.87 AURKA (0.47) AURKAAURKBNTRK1CSNK2A1ADORA3
SCHEMBL174917 0.86 AURKA (0.61) AURKAAURKBCSNK2A1ADORA3PTGS1
SCHEMBL174680 0.85 AURKA (0.58) AURKAAURKBADORA3MAPK1
SCHEMBL174779 0.84 AURKA (0.68) AURKAAURKBNTRK1ADORA3PAK4
SCHEMBL10224905 0.77 JAK2 (0.53) AURKAAURKBNTRK1ADORA3PDE10A
SCHEMBL174916 0.77 JAK2 (0.53) AURKAAURKBNTRK1ADORA3PDE10A
SCHEMBL720607 0.77 JAK2 (0.53) AURKAAURKBNTRK1ADORA3PDE10A
SCHEMBL720608 0.77 JAK2 (0.53) AURKAAURKBNTRK1ADORA3PDE10A
SCHEMBL174455 0.76 AURKA (0.42) AURKAAURKBCSNK2A1ADORA3PTGS1

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 456/4885NTRK1 1312/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 AURKA 623/4885AURKB 456/4885NTRK1 1312/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 AURKA 623/4885AURKB 456/4885NTRK1 1312/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 AURKA 3998/4885AURKB 3304/4885NTRK1 2875/4885

“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.