SCHEMBL10174182

SCHEMBL10174182

Cc1cncc(CN(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CYP11B1 P15538 11/20 0.39
CYP11B2 P19099 11/20 0.39
CYP3A4 P08684 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TKT P29401 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL13778367 0.88 CYP2A6 (0.43) CHRNB2CHRNA4CYP11B1CYP11B2CYP3A4
SCHEMBL26031609 0.83 CYP11B1 (0.37) CYP11B1CYP11B2CYP3A4TKTHCAR2
SCHEMBL25975331 0.79 CHRNA7 (0.52) CYP11B1CYP11B2CYP3A4HRH3TKT
SCHEMBL23131753 0.78 CHRNB2 (0.48) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL13744015 0.77 HRH3 (0.59) CHRNB2CHRNA4CYP11B1CYP11B2HRH3
SCHEMBL3723569 0.77 CHRNB2 (0.47) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL11987865 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CYP3A4HRH3ALDH1A1
SCHEMBL22807066 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CYP11B1CYP11B2HRH3
SCHEMBL939418 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CYP11B1CYP11B2HRH3
SCHEMBL12240469 0.77 CHRNB2 (0.47) CHRNB2CHRNA4HRH3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-20230047396-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-02-16 US disclosed
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
EP-2516417-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2017-10-11 EP disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
EP-1628957-B1 SULFOPYRROLES TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
US-7612064-B2 Sulfopyrroles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-03 US disclosed
US-7612064-B2 Sulfopyrroles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-03 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20070060570-A1 Sulfopyrroles TALEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
US-20070060570-A1 Sulfopyrroles TALEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 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 (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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 CHRNB2 4051/4885CHRNA4 4409/4885CYP11B1 1017/4885
US-20230047396-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS WNT1, WNT3, WNT3A CHRNB2 2291/4885CHRNA4 2897/4885CYP11B1 944/4885
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885CYP11B1 116/4885
US-20070060570-A1 Sulfopyrroles TYK2, ARSA, SULT2A1 CHRNB2 4089/4885CHRNA4 4313/4885CYP11B1 445/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 CHRNB2 3658/4885CHRNA4 4390/4885CYP11B1 2161/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CHRNB2 3774/4885CHRNA4 961/4885CYP11B1 1713/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 CHRNB2 4051/4885CHRNA4 4409/4885CYP11B1 1017/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885CYP11B1 116/4885

“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.