SCHEMBL205669

SCHEMBL205669

Nc1cc(Cl)cc(Br)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 6/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA3 P07451 1/20 0.36
ERN1 O75460 1/20 0.34
MCL1 Q07820 1/20 0.33
NR4A2 P43354 1/20 0.32

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
SCHEMBL1639812 0.86 GAA (0.58) GAAMAPTCYP3A4TSHRALDH1A1
SCHEMBL1639839 0.80 CA1 (0.50) GAAMAPTCYP3A4TSHRTP53
SCHEMBL3605101 0.79 CA1 (0.54) GAAMAPTCYP3A4TSHRALDH1A1
SCHEMBL31150405 0.79 CYP3A4 (0.45) GAAMAPTCYP3A4TSHRALDH1A1
SCHEMBL1494521 0.79 CYP3A4 (0.45) GAAMAPTCYP3A4TSHRALDH1A1
SCHEMBL31050390 0.79 CA1 (0.54) GAAMAPTCYP3A4TSHRALDH1A1
SCHEMBL23943960 0.75 CYP3A4 (0.37) GAACYP3A4TSHRALDH1A1ALOX15
SCHEMBL2427550 0.75 CYP3A4 (0.40) GAAMAPTCYP3A4TSHRALDH1A1
SCHEMBL1494549 0.75 CYP3A4 (0.43) GAACYP3A4TSHRALDH1A1ALOX15
SCHEMBL16047536 0.75 MAPT (0.40) GAAMAPTCYP3A4TSHRTP53

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573805-A Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2022-06-03 CN claimed
CN-114573805-B Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2024-03-08 CN disclosed
WO-2024026419-A1 QUINOXALINE DERIVATIVES AS PIK3 ALPHA MODULATORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
CN-114573805-A Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2022-06-03 CN disclosed
WO-2021026375-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 WO disclosed
WO-2021026375-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 WO disclosed
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
EP-3538518-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB Merck Patent GmbH (DE) 2019-09-18 EP disclosed
US-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB MERCK PATENT GMBH (DE) 2019-08-22 US disclosed
US-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB MERCK PATENT GMBH (DE) 2019-08-22 US disclosed
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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 (3 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-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB PFKFB1, PFKFB2, PFKFB4 GAA 962/4885MAPT 3873/4885CYP3A4 2728/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR GAA 1853/4885MAPT 4740/4885CYP3A4 60/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR GAA 1753/4885MAPT 3282/4885CYP3A4 1786/4885

“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.