SCHEMBL1911599

SCHEMBL1911599

CC(C)(C)Cc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.32
AURKA O14965 1/20 0.32
DHFR P00374 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSP90AA1 P07900 2/20 0.32
TP53 P04637 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CASP1 P29466 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL18160685 0.79 SLC6A2 (0.44) HTTSMN1; SMN2TSHRAURKADHFR
SCHEMBL29998499 0.79 CA12 (0.32) HTTSMN1; SMN2TSHRAURKADHFR
SCHEMBL18647939 0.79 ESR1 (0.45) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18647908 0.77 BRS3 (0.36)
SCHEMBL9968613 0.76 HSP90AA1 (0.33) HSP90AA1ESR1
SCHEMBL24141962 0.75 CYP1A2 (0.31)
SCHEMBL18994401 0.74 HTT (0.35) HTTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL13819892 0.74 NUDT1 (0.37)
SCHEMBL21324869 0.74 ESR1 (0.39) ESR1
SCHEMBL13819890 0.74 CCR1 (0.33) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BIOHAVEN THERAPEUTICS LTD. (US) 2024-07-09 US disclosed
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 US disclosed
US-7462616-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-09 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 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 (11 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HTT 4852/4885SMN1; SMN2 96/4885NPC1 3564/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 HTT 4840/4885SMN1; SMN2 92/4885NPC1 3132/4885
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BRCA1, ABAT, HDAC1 HTT 340/4885SMN1; SMN2 86/4885NPC1 1647/4885
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 HTT 3783/4885SMN1; SMN2 4350/4885NPC1 4430/4885
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors PLK2, CDK2, MAP3K15 HTT 3783/4885SMN1; SMN2 4350/4885NPC1 4430/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 HTT 633/4885SMN1; SMN2 4142/4885NPC1 2373/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 HTT 117/4885SMN1; SMN2 1270/4885NPC1 2440/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 HTT 2592/4885SMN1; SMN2 3581/4885NPC1 228/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 HTT 2660/4885SMN1; SMN2 2962/4885NPC1 1233/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HTT 4852/4885SMN1; SMN2 96/4885NPC1 3564/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 HTT 4488/4885SMN1; SMN2 2919/4885NPC1 1939/4885

“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.