SCHEMBL4110940

SCHEMBL4110940

CC(C)(C)CC(=O)Nc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.86
HPGD P15428 3/20 0.86
RAB9A P51151 3/20 0.86
GAA P10253 2/20 0.86
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA14 Q9ULX7 1/20 0.60
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.56
EPHX2 P34913 1/20 0.55
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
ECE1 P42892 1/20 0.54
HDAC4 P56524 2/20 0.53

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
SCHEMBL23518443 0.90 RAB9A (0.76) MAPTHPGDRAB9AGAAMEN1
SCHEMBL22924879 0.89 RAB9A (0.76) MAPTHPGDRAB9AGAAMEN1
SCHEMBL23518557 0.86 HPGD (0.81) MAPTHPGDRAB9AGAAMEN1
SCHEMBL20734732 0.85 MAPT (0.65) MAPTHPGDRAB9AGAAMEN1
SCHEMBL28049259 0.85 MAPT (0.65) MAPTHPGDRAB9AGAAMEN1
SCHEMBL20734734 0.85 MAPT (0.65) MAPTHPGDRAB9AGAAMEN1
SCHEMBL4299260 0.83 RAB9A (0.68) MAPTHPGDRAB9AGAAMEN1
SCHEMBL16395827 0.83 MAPT (0.63) MAPTHPGDRAB9AGAAMEN1
SCHEMBL10962729 0.82 HPGD (0.62) MAPTHPGDRAB9AGAAMEN1
SCHEMBL5649258 0.82 RAB9A (0.67) MAPTHPGDRAB9AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed
JP-59048403-A None JP disclosed
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
CN-115556441-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2023-01-03 CN disclosed
CN-115556446-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2023-01-03 CN disclosed
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2021-07-08 US disclosed
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-10981899-B2 Inhibitors of soluble adenylyl cyclase CORNELL UNIVERSITY (US) 2021-04-20 US disclosed
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-8093260-B2 Aporphine derivatives and pharmaceutical use thereof STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-01-10 US disclosed
US-20090318489-A1 Aporphine compounds and pharmaceutical use thereof STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 US disclosed
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 US disclosed
US-20090231240-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE FUJI XEROX CO., LTD. (JP) 2009-09-17 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
JP-S5948403-A HERBICIDE FOR PADDY FIELD YASHIMA CHEM IND CO LTD 1984-03-19 JP 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 (8 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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 MAPT 3052/4885HPGD 833/4885RAB9A 2090/4885
US-10981899-B2 Inhibitors of soluble adenylyl cyclase PDE7A, PDE6C, ADCYAP1R1 MAPT 3506/4885HPGD 448/4885RAB9A 1285/4885
US-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF MAPT 3356/4885HPGD 3156/4885RAB9A 407/4885
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 MAPT 3052/4885HPGD 833/4885RAB9A 2090/4885
US-20090318489-A1 Aporphine compounds and pharmaceutical use thereof IAPP, OPRL1, AGER MAPT 466/4885HPGD 451/4885RAB9A 3716/4885
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same IAPP, GPR119, AMY2A MAPT 1473/4885HPGD 461/4885RAB9A 1868/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 MAPT 3052/4885HPGD 833/4885RAB9A 2090/4885
US-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 MAPT 4030/4885HPGD 1338/4885RAB9A 3817/4885

“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.