SCHEMBL19010146

SCHEMBL19010146

CNc1csc(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
TLR7 Q9NYK1 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
SLC6A3 Q01959 1/20 0.34
ESR1 P03372 2/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 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
Hydrochloric Acid SCHEMBL28806192 0.98 SMN1; SMN2 (0.40) SMN1; SMN2TLR7PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29201513 0.98 SMN1; SMN2 (0.40) SMN1; SMN2TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL21919621 0.75 SMN1; SMN2 (0.40) SMN1; SMN2TLR7PIK3CDPIK3CAPIK3CB
Dimethylamine SCHEMBL28276514 0.72 TLR7 (0.36) SMN1; SMN2TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL179319 0.70 CCR4 (0.39) SMN1; SMN2TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL2642950 0.70
SCHEMBL902615 0.69 SLC6A3 (0.44) SMN1; SMN2TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL23770540 0.68
SCHEMBL2643633 0.68
SCHEMBL539002 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 US disclosed
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-10202398-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2019-02-12 US disclosed
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2018-06-26 US disclosed
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2018-06-26 US disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 US disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 US disclosed
US-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. 2017-06-22 US disclosed
CN-103118680-B Heteroaryl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2015-12-16 CN disclosed
CN-102007123-B Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2014-04-30 CN disclosed
CN-103118680-A Heteroarylmethyl amides HOFFMANN LA ROCHE 2013-05-22 CN disclosed
CN-102007123-A Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2011-04-06 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 (7 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-20170174697-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4718/4885TLR7 3656/4885PIK3CD 140/4885
US-10202398-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4718/4885TLR7 3656/4885PIK3CD 140/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 SMN1; SMN2 2199/4885TLR7 4305/4885PIK3CD 1285/4885
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK SMN1; SMN2 4365/4885TLR7 3524/4885PIK3CD 207/4885
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885TLR7 3505/4885PIK3CD 131/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885TLR7 3505/4885PIK3CD 131/4885
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885TLR7 3505/4885PIK3CD 131/4885

“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.