SCHEMBL84498

SCHEMBL84498

CC(C)c1ccnc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
XDH P47989 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PANK3 Q9H999 2/20 0.35
ERBB2 P04626 1/20 0.34
IDH1 O75874 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL24780050 0.85 MYC (0.41) MYCAAK1XDHABCG2PANK3
SCHEMBL26916928 0.85 MYC (0.41) MYCAAK1XDHABCG2IDH1
SCHEMBL26916924 0.85 MYC (0.41) MYCAAK1XDHABCG2IDH1
SCHEMBL17000215 0.85 MYC (0.37) MYCALDH1A1HPGDAAK1XDH
SCHEMBL28803092 0.85 MYC (0.41) MYCAAK1XDHABCG2IDH1
SCHEMBL17138377 0.84 MYC (0.39) MYCAAK1XDHABCG2IDH1
Hydrochloric Acid SCHEMBL28802967 0.83 AAK1 (0.40) MYCAAK1XDHABCG2IDH1
SCHEMBL19185324 0.82 ALDH1A1 (0.43) MYCNPC1ALDH1A1HPGDRAB9A
SCHEMBL21974578 0.80 AAK1 (0.36) MYCNPC1ALDH1A1HPGDRAB9A
SCHEMBL12302986 0.80 AAK1 (0.36) MYCNPC1ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 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 (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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD MYC 2693/4885NPC1 2688/4885ALDH1A1 443/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD MYC 781/4885NPC1 1176/4885ALDH1A1 2457/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 MYC 1/4885NPC1 2433/4885ALDH1A1 4067/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 MYC 1875/4885NPC1 4797/4885ALDH1A1 3413/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP MYC 4560/4885NPC1 1381/4885ALDH1A1 720/4885
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 MYC 4318/4885NPC1 2582/4885ALDH1A1 2692/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B MYC 2002/4885NPC1 1748/4885ALDH1A1 118/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MYC 512/4885NPC1 3237/4885ALDH1A1 2702/4885

“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.