SCHEMBL3548849

SCHEMBL3548849

CC(C)(C)NC(=O)Oc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
RAF1 P04049 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
Acetonitrile SCHEMBL28262259 0.92 RAB9A (0.41) RAB9ASMN1; SMN2POLBHPGDHSD17B10
SCHEMBL1893211 0.81 ALDH1A1 (0.51) RAB9ASMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL3545255 0.80 KMT2A (0.50) RAB9AKDM4EMAPT
SCHEMBL13900227 0.79 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2HSD17B10CYP1A2CYP2C9
SCHEMBL4736087 0.79 ELANE (0.41) RAB9ASMN1; SMN2HSD17B10LMNAMAPT
SCHEMBL25407106 0.79 ELANE (0.51) LMNAKDM4EMAPTBCHEACHE
SCHEMBL25688979 0.79 LMNA (0.53) RAB9ASMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL27150841 0.79 ALDH1A1 (0.49) RAB9ASMN1; SMN2HPGDHSD17B10CYP1A2
Methane SCHEMBL27556274 0.78 KMT2A (0.49) RAB9AKDM4EMAPT
SCHEMBL27572847 0.78 SMARCA2 (0.40) RAB9ASMN1; SMN2HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567497-B1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2009-09-23 EP claimed
EP-3355925-B1 TREATMENT OF ACUTE TRAUMATIC INJURY UNIV ROCHESTER (US) 2024-02-28 EP disclosed
CN-106661018-B Pyrrolo- [2,3-C] pyridine as neurofibrillary tangles imaging agent 默沙东公司 2019-07-19 CN disclosed
CN-109153642-A Indoles and azaindole halogenated allylamine derivatives inhibitors of lysyloxidase and application thereof 法玛西斯有限公司 2019-01-04 CN disclosed
CN-108948019-A Focal adhesion kinase inhibitor and application thereof 广东东阳光药业有限公司 2018-12-07 CN disclosed
CN-107848971-A Heterocyclic compound 武田药品工业株式会社 2018-03-27 CN disclosed
CN-106661018-A Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles 默沙东公司 2017-05-10 CN disclosed
CN-103038229-B Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-11 CN disclosed
CN-105228609-A New transcription factor regulator CHEN LIN 2016-01-06 CN disclosed
CN-104927742-A Polyurethane wood structure glue and preparation method thereof SHANGHAI DONGHE ADHESIVE CO LTD 2015-09-23 CN disclosed
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
CN-100480249-C Pyrrolopyridine-2-carboxylic acid amides as glycogen phosphorylase inhibitors PROSIDION LTD (GB) 2009-04-22 CN disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 US disclosed
CN-1980925-A Substituted azaquinazolines with antiviral activity AICURIS GMBH & CO KG (DE) 2007-06-13 CN disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1856498-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB (US) 2006-11-01 CN disclosed
CN-1856304-A Heteroaromatic ureas that modulate the function of the capsaicin-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2006-11-01 CN disclosed
CN-1826340-A Pyrrolopyridine-2-carboxylic acid amides as glycogen phosphorylase inhibitors PROSIDION LTD (GB) 2006-08-30 CN disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN 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-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride ZC3HAV1, EIF2AK2, IRF3 RAB9A 1869/4885SMN1; SMN2 2813/4885POLB 201/4885

“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.