SCHEMBL165303

SCHEMBL165303

CCOC(=O)C(=O)Nc1c(OC)cccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
GAA P10253 3/20 0.51
GPR35 Q9HC97 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
PLIN1 O60240 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PLIN5 Q00G26 1/20 0.47
KMT2A Q03164 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.44
CTSD P07339 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL163242 0.85 GPR35 (0.52) CYP19A1GAAGPR35ALDH1A1KDM4E
SCHEMBL4933834 0.83 CYP19A1 (0.47) CYP19A1KDM4EMAPTMEN1LMNA
SCHEMBL162716 0.82 MAPT (0.51) CYP19A1GAAGPR35ALDH1A1KDM4E
SCHEMBL28066430 0.81 GPR35 (0.49) CYP19A1GAAGPR35ALDH1A1KDM4E
SCHEMBL11442374 0.81 GAA (0.57) CYP19A1GAAGPR35ALDH1A1KDM4E
SCHEMBL11445340 0.80 GPR35 (0.58) CYP19A1GAAGPR35ALDH1A1KDM4E
SCHEMBL27277926 0.80 POLB (0.43) GAAALDH1A1KDM4EHPGDMAPT
SCHEMBL7018503 0.80 MAPK1 (0.51) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL7160516 0.79 KCNK3 (0.65) GAAALDH1A1KDM4EHPGDMAPT
SCHEMBL5262543 0.79 CTSD (0.49) MAPTMEN1LMNAKMT2ACTSD

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 CYP19A1 4303/4885GAA 1318/4885GPR35 3088/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CYP19A1 4303/4885GAA 1318/4885GPR35 3088/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CYP19A1 4303/4885GAA 1318/4885GPR35 3088/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 CYP19A1 1965/4885GAA 2414/4885GPR35 332/4885

“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.