SCHEMBL164594

SCHEMBL164594

O=C(c1ccc(F)c(Cl)c1)c1nc(Cl)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.43
TSPO P30536 1/20 0.43
GRM2 Q14416 4/20 0.42
PTGER4 P35408 1/20 0.41
HSD17B14 Q9BPX1 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM4 P08173 1/20 0.41
MDM2 Q00987 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MMP14 P50281 1/20 0.39
MAOB P27338 1/20 0.38
KMO O15229 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 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
SCHEMBL165853 0.91 GRM2 (0.43) GRM2PTGER4HSD17B14HSD17B1HSD17B2
SCHEMBL164549 0.84 ALOX15 (0.43) GRM2NPC1MEN1KMT2AKDM4E
SCHEMBL159829 0.83 KDM4E (0.53) GRM2MEN1KMT2AGAAMMP14
SCHEMBL163563 0.83 IGFBP3 (0.43) GRM2NPC1RAB9AMEN1KMT2A
SCHEMBL27845960 0.80 MAOA (0.47) GAAMAOBKDM4EHTT
SCHEMBL174487 0.76 AURKA (0.74)
SCHEMBL1653008 0.75 NPC1 (0.57) HSD17B14NPC1RAB9AHSD17B1HSD17B2
SCHEMBL22694433 0.73 MAOA (0.47) MEN1KMT2AGAAMAOBKDM4E
SCHEMBL10399614 0.73 SRD5A2 (0.53) HSD17B14NPC1RAB9ACHRM4MDM2
SCHEMBL164944 0.72 AURKA (0.41) NPC1MEN1KMT2AKDM4EHTT

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 ABCG2 2423/4885TSPO 2342/4885GRM2 1180/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 ABCG2 2423/4885TSPO 2342/4885GRM2 1180/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 ABCG2 2423/4885TSPO 2342/4885GRM2 1180/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 ABCG2 1043/4885TSPO 1160/4885GRM2 260/4885

“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.