SCHEMBL167586

SCHEMBL167586

NC(=O)c1ccc(I)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 3/20 0.44
MAP2K1 Q02750 3/20 0.44
IKBKB O14920 2/20 0.40
DGAT1 O75907 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
NQO2 P16083 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ATM Q13315 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GRK6 P43250 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL164836 0.83 ALDH1A1 (0.53) MAP2K2MAP2K1ALDH1A1MAPTKMT2A
SCHEMBL688910 0.83 IKBKB (0.53) MAP2K2MAP2K1IKBKBALDH1A1MAPT
SCHEMBL31396647 0.78 ALDH1A1 (0.50) MAP2K2MAP2K1DGAT1ALDH1A1MAPT
SCHEMBL7409099 0.77 MAPT (0.48) IKBKBDGAT1ALDH1A1MAPTKMT2A
SCHEMBL1747938 0.77 DGAT1 (0.60) MAP2K2MAP2K1DGAT1
SCHEMBL1748053 0.77 MKNK1 (0.46) MAP2K2MAP2K1DGAT1IDO1TDP1
SCHEMBL30547931 0.77 DGAT1 (0.60) MAP2K2MAP2K1DGAT1
SCHEMBL3376548 0.77 KMT2A (0.53) MAP2K2MAP2K1DGAT1ALDH1A1MAPT
SCHEMBL22864742 0.77 DGAT1 (0.46) MAP2K2MAP2K1DGAT1ALDH1A1MAPT
SCHEMBL1184918 0.76 ALDH1A1 (0.66) ALDH1A1MAPTKMT2ANQO2MEN1

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 13 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
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 MAP2K2 372/4885MAP2K1 667/4885IKBKB 315/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 MAP2K2 372/4885MAP2K1 667/4885IKBKB 315/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 MAP2K2 372/4885MAP2K1 667/4885IKBKB 315/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 MAP2K2 4210/4885MAP2K1 4483/4885IKBKB 1224/4885

“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.