SCHEMBL5300778

SCHEMBL5300778

COc1cc(NC(C)C)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
G6PD P11413 1/20 0.53
ACHE P22303 1/20 0.48
CYP3A4 P08684 1/20 0.46
CA9 Q16790 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46

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
SCHEMBL12349909 0.88 MAPK1 (0.47) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL25896876 0.83 MAPT (0.54) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9525229 0.83 MAPT (0.54) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL16376052 0.83 MEN1 (0.43) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9348606 0.81 MAPT (0.56) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL5301321 0.81 SMN1; SMN2 (0.40) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12932855 0.80 MAPK1 (0.51) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12963097 0.80 G6PD (0.59) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL2674642 0.77 MEN1 (0.53) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL1966606 0.77 SMN1; SMN2 (0.49) MAPTMAPK1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF PURDUE RESEARCH FOUNDATION 2022-12-08 US disclosed
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2020-08-04 US disclosed
CN-109627193-B Diaryl azo oxygen compound with anti-tumor effect and synthesis method thereof 华中科技大学 2020-05-22 CN disclosed
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIVERSITY OF PUERTO RICO (PR) 2019-05-02 US disclosed
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2018-06-26 US disclosed
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2018-05-10 US disclosed
US-20170114067-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (10 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT MAPT 393/4885MAPK1 3527/4885MEN1 3929/4885
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 MAPT 1009/4885MAPK1 1475/4885MEN1 4187/4885
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 MAPT 1009/4885MAPK1 1475/4885MEN1 4187/4885
US-20170114067-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 MAPT 1009/4885MAPK1 1475/4885MEN1 4187/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT MAPT 393/4885MAPK1 3527/4885MEN1 3929/4885
US-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF SPTBN1, CTTN, HBG1 MAPT 2296/4885MAPK1 614/4885MEN1 4567/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS MAPT 3896/4885MAPK1 482/4885MEN1 2021/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 MAPT 3908/4885MAPK1 393/4885MEN1 1556/4885
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AB2P, HSP90AA1 MAPT 142/4885MAPK1 1216/4885MEN1 4399/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P MAPT 357/4885MAPK1 1058/4885MEN1 4501/4885

“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.