SCHEMBL3979208

SCHEMBL3979208

COc1ccnc(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ACHE P22303 1/20 0.39
TGFBR1 P36897 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 1/20 0.37
PDE2A O00408 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
Hydrochloric Acid SCHEMBL28215751 0.98 MAOA (0.53) MAOAADRA2AADRA2CADRA1DADRA1A
Acetic Acid SCHEMBL28215170 0.89 KDM4E (0.42) MAOATGFBR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8708948 0.87 MAOA (0.52) MAOATGFBR1DYRK1APDE2APDE4A
SCHEMBL4703000 0.84 MAOA (0.41) MAOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL9833682 0.84 HPGD (0.46) MAOASMN1; SMN2ALDH1A1CA12CA1
SCHEMBL9834352 0.81 MAOA (0.42) MAOASMN1; SMN2DYRK1APDE10AALDH1A1
SCHEMBL31284785 0.80 GAK (0.38) MAOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL12821066 0.80 GAK (0.38) MAOAADRA2AADRA2CADRA1DADRA1A
SCHEMBL21186144 0.79 TUBB4A (0.41) MAOATGFBR1ALDH1A1
SCHEMBL10819312 0.79 MAOA (0.52) MAOAADRA2AADRA2CADRA1AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557692-B A kind of preparation method of pantoprazole intermediate 2- chloromethyls -3,4- dimethoxy pyridine hydrochlorides 寿光富康制药有限公司 2018-08-21 CN claimed
CN-108191745-A The preparation method of 2- methylol -3,4- dimethoxy-pyridines 滁州学院 2018-06-22 CN claimed
CN-104557692-A Preparation method of pantoprazole intermediate 2-chloromethyl-3,4-dimethoxy pyridine hydrochloride Shouguang fukang pharmaceutical co ltd 2015-04-29 CN claimed
CN-101875629-B Industrial preparation method of pantoprazole intermediate pyridine hydrochloride NANJING YUANHUA TECHNOLOGY CONSULTATION CO LTD 2013-03-06 CN claimed
CN-102304083-A Preparation method of 2-chloromethyl-3,4-dimethoxypyridine hydrochloride NANTONG CHENGXIN AMINO ACID CO LTD 2012-01-04 CN claimed
CN-101875629-A Industrial preparation method of pantoprazole intermediate pyridine hydrochloride NANJING YUANHUA TECHNOLOGY CONSULTATION CO LTD 2010-11-03 CN claimed
CN-101475561-A Method for synthesizing pantoprazole and salt thereof HAINAN MEIDA PHARMACEUTICAL CO (CN) 2009-07-08 CN claimed
CN-104557692-B A kind of preparation method of pantoprazole intermediate 2- chloromethyls -3,4- dimethoxy pyridine hydrochlorides 寿光富康制药有限公司 2018-08-21 CN disclosed
CN-108191745-A The preparation method of 2- methylol -3,4- dimethoxy-pyridines 滁州学院 2018-06-22 CN disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
EP-2870144-B1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2017-04-19 EP disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
CN-103483248-B The synthetic method of the chloro-3-methoxyl group of a kind of 4--2-methyl-4-pyridine JIANGSU YUXIANG CHEMICAL CO., LTD. (CN) 2016-01-20 CN disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0208452-B1 PYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
CN-1032539-A The Thienoimidazole derivatives that replaces, their preparation method contains their pharmaceutical preparation and they are as the application of gastric acid secretion inhibitor HOECHST AG (DE) 1989-04-26 CN disclosed
US-4738975-A Pyridine derivatives, and use as anti-ulcer agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
CN-86104636-A Produce the method for pyridine derivate 1987-01-28 CN disclosed
EP-0208452-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP 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 (1 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 MAOA 4075/4885ADRA2A 4635/4885ADRA2C 4471/4885

“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.