SCHEMBL16629271

SCHEMBL16629271

CN(C(=O)OC(C)(C)C)c1ccn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
PAX8 Q06710 1/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TTK P33981 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
F11 P03951 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
JMJD6 Q6NYC1 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL18426905 0.76 NPC1 (0.39) NPC1RAB9ATRPM8KDM4EALDH1A1
SCHEMBL31009580 0.76 RAB9A (0.39) NPC1RAB9ATRPM8KDM4EALDH1A1
SCHEMBL25937956 0.74 IRAK4 (0.44) BRD4PAX8NPC1RAB9AKDM4E
SCHEMBL25269843 0.73 PAX8 (0.37) BRD4PAX8NPC1RAB9ATTK
SCHEMBL29664520 0.73 BRD4 (0.36) BRD4PAX8TTKKDM4EHTR2C
SCHEMBL30847692 0.73 TTK (0.37) BRD4PAX8TTKHTR2CSLC6A4
SCHEMBL852406 0.72 PAX8 (0.42) BRD4PAX8RAB9ATTKTSHR
SCHEMBL20037705 0.72 TTK (0.39) BRD4PAX8NPC1RAB9ATTK
SCHEMBL16629284 0.72 GRN (0.49) BRD4PAX8TTKKDM4EALDH1A1
SCHEMBL27610277 0.71 TSHR (0.49) NPC1RAB9AALDH1A1JMJD6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 US disclosed
WO-2017019804-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-02-02 WO disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 US disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 US disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 US disclosed
WO-2015050989-A2 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES CS THERAPEUTICS INC. (US) 2015-04-09 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 (2 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-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, PRKAR2B, MAP3K13 BRD4 1335/4885PAX8 2178/4885NPC1 2364/4885
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, PRKAR2B, MAP3K13 BRD4 1335/4885PAX8 2178/4885NPC1 2364/4885

“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.