SCHEMBL164973

SCHEMBL164973

O=C(c1ccc(F)cc1)c1nc(Cl)c2cc(F)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
LTA4H P09960 1/20 0.40
NQO2 P16083 1/20 0.39
HDAC3 O15379 1/20 0.38
ACHE P22303 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL164944 0.88 AURKA (0.41) DHODHKDM4EMEN1HTTKMT2A
SCHEMBL159829 0.85 KDM4E (0.53) KDM4EMEN1HTTKMT2AALOX5
SCHEMBL162042 0.81 AURKA (0.38) KDM4EMEN1HTTKMT2AALOX5
SCHEMBL165012 0.79 ESR1 (0.41) KDM4EHTT
SCHEMBL164536 0.77 NPC1 (0.49) KDM4EMEN1KMT2ALTA4HALDH1A1
SCHEMBL163563 0.76 IGFBP3 (0.43) MEN1KMT2AALDH1A1NPC1
SCHEMBL164804 0.75 NPC1 (0.40) KDM4EMEN1HTTKMT2ALTA4H
SCHEMBL163631 0.75 TSHR (0.52) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL160850 0.74 GRM2 (0.43) KDM4EMEN1HTTKMT2AALOX5
SCHEMBL3782947 0.74 KDM4E (0.39) KDM4EMEN1HTTKMT2AALOX5

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 DHODH 3784/4885KDM4E 1357/4885MEN1 3143/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 DHODH 3784/4885KDM4E 1357/4885MEN1 3143/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 DHODH 3784/4885KDM4E 1357/4885MEN1 3143/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 DHODH 2725/4885KDM4E 4430/4885MEN1 4218/4885

“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.