SCHEMBL175039

SCHEMBL175039

COc1ccc2c(Nc3cc[nH]n3)nc([C@@H](O)c3ccc(F)cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.54
JAK3 P52333 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C8 P10632 3/20 0.54
CYP2C9 P11712 3/20 0.54
JAK1 P23458 3/20 0.54
TYK2 P29597 3/20 0.54
CYP2C19 P33261 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
CYP1A2 P05177 1/20 0.54
AURKA O14965 4/20 0.43
AURKB Q96GD4 2/20 0.43
GRK6 P43250 7/20 0.43
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP2D6 P10635 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
ADORA1 P30542 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
SCHEMBL10224881 1.00 JAK2 (0.54) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174692 1.00 JAK2 (0.54) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL175038 1.00 JAK2 (0.54) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174626 0.86 JAK2 (0.74) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL719726 0.86 JAK2 (0.74) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255906 0.86 JAK2 (0.74) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL719727 0.86 JAK2 (0.74) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174350 0.86 JAK2 (0.53) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174351 0.86 JAK2 (0.53) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL720608 0.86 JAK2 (0.53) JAK2JAK3CYP3A4CYP2C8CYP2C9

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 JAK2 1/4885JAK3 2/4885CYP3A4 3115/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 JAK2 1/4885JAK3 2/4885CYP3A4 3115/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 JAK2 1/4885JAK3 2/4885CYP3A4 3115/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 JAK2 3914/4885JAK3 3339/4885CYP3A4 2890/4885

“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.