SCHEMBL803789

SCHEMBL803789

CN(C)C(=O)c1cc(Br)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAF1 P04049 3/20 0.43
BRAF P15056 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.39
GRM5 P41594 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
HTT P42858 1/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
ASPH Q12797 1/20 0.36
KDM4D Q6B0I6 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
SCHEMBL30276008 1.00 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2RAF1BRAF
SCHEMBL1724415 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2RAF1BRAF
SCHEMBL31191397 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2RAF1BRAF
SCHEMBL4947098 0.79 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2RAF1MAPT
SCHEMBL31301345 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL29478760 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2MAPTGRM5
SCHEMBL5700497 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2MAPTGRM5
SCHEMBL31301399 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL31453126 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL621293 0.78 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2RAF1MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 WO disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (6 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C ALDH1A1 4524/4885KDM4E 774/4885SMN1; SMN2 3679/4885
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 ALDH1A1 679/4885KDM4E 497/4885SMN1; SMN2 3751/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 ALDH1A1 679/4885KDM4E 497/4885SMN1; SMN2 3751/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885KDM4E 2983/4885SMN1; SMN2 4601/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C ALDH1A1 4524/4885KDM4E 774/4885SMN1; SMN2 3679/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885KDM4E 2727/4885SMN1; SMN2 2971/4885

“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.