SCHEMBL164991

SCHEMBL164991

Cc1ccc2c(O)nc(C(F)(F)c3ccc(F)cc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
CTNNB1 P35222 13/20 0.39
TCF7L2 Q9NQB0 13/20 0.39
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL176103 0.84 MEN1 (0.33) KDM4EMAPTMEN1KMT2A
SCHEMBL163386 0.84 GRM2 (0.39) GRM2CTNNB1TCF7L2POLBKDM4E
SCHEMBL163749 0.83 KDM4E (0.44) GRM2KDM4EMAPTALDH1A1APP
SCHEMBL161614 0.82 GRM2 (0.36) GRM2CTNNB1TCF7L2POLBKDM4E
Hydrochloric Acid SCHEMBL28094499 0.82 KDM4E (0.43) GRM2KDM4EMAPTALDH1A1APP
SCHEMBL164199 0.80 CCNE2 (0.41) GRM2KDM4EMAPTALDH1A1LMNA
SCHEMBL161366 0.79 KDM4E (0.43) CTNNB1TCF7L2KDM4EMAPTALDH1A1
SCHEMBL27845975 0.79 PKM (0.38) GRM2POLBKDM4EMAPTALDH1A1
SCHEMBL27845976 0.78 PSEN1 (0.39) GRM2CTNNB1TCF7L2POLBKDM4E
SCHEMBL174952 0.77 PIK3CA (0.42) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837560-A JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF 埃姆比特生物科学公司 2016-08-10 CN disclosed
CN-105601619-A JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP 2016-05-25 CN disclosed
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 GRM2 1180/4885CTNNB1 4640/4885TCF7L2 3277/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 GRM2 1180/4885CTNNB1 4640/4885TCF7L2 3277/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 GRM2 1180/4885CTNNB1 4640/4885TCF7L2 3277/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 GRM2 260/4885CTNNB1 2937/4885TCF7L2 3399/4885

“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.