SCHEMBL481946

SCHEMBL481946

CN(C(=O)OC(C)(C)C)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM5 P08912 1/20 0.42
CHKA P35790 1/20 0.42
BRD4 O60885 2/20 0.40
MLYCD O95822 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 1/20 0.39
F2 P00734 4/20 0.39
POLQ O75417 1/20 0.39
CYP17A1 P05093 2/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
Potassium SCHEMBL30601778 0.98 PAX8 (0.48) PAX8KMT2AKDM4ECHRM5CHKA
SCHEMBL28068183 0.88 PAX8 (0.44) PAX8KMT2AKDM4EBRD4MLYCD
SCHEMBL8018111 0.87 PAX8 (0.55) PAX8KMT2ABRD4MEN1RAB9A
Water SCHEMBL27760152 0.82 PAX8 (0.49) PAX8KMT2ABRD4MEN1RAB9A
SCHEMBL7200107 0.81 RAB9A (0.57) PAX8KMT2AKDM4EBRD4MEN1
SCHEMBL29109908 0.81 PAX8 (0.43) PAX8KMT2ABRD4MEN1RAB9A
SCHEMBL15948302 0.81 F2 (0.38) PAX8KMT2AKDM4ECHRM5CHKA
SCHEMBL31554105 0.80 NOTUM (0.48) PAX8KMT2ABRD4MLYCDMEN1
SCHEMBL479924 0.80 NOTUM (0.48) PAX8KMT2ABRD4MLYCDMEN1
SCHEMBL14384381 0.80 PAX8 (0.50) PAX8KMT2ABRD4MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
CN-113316576-A 2, 3-dihydro-1H-pyrrolo [3,4-c ] pyridin-1-one derivatives as HPK1 inhibitors for the treatment of cancer 辉瑞公司 2021-08-27 CN disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
CN-105693730-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors 西格诺药品有限公司 2016-06-22 CN disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US 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 (5 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC PAX8 4419/4885KMT2A 960/4885KDM4E 922/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PAX8 4582/4885KMT2A 1457/4885KDM4E 1056/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PAX8 4582/4885KMT2A 1457/4885KDM4E 1056/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 PAX8 4362/4885KMT2A 1259/4885KDM4E 850/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC PAX8 4419/4885KMT2A 960/4885KDM4E 922/4885

“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.