SCHEMBL3618930

SCHEMBL3618930

CN1CCN(c2ccc(N)c3cccnc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
IDO1 P14902 1/20 0.51
PSMB5 P28074 1/20 0.51
HRH4 Q9H3N8 2/20 0.50
ADRA2C P18825 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
NCF1 P14598 1/20 0.46
MAPK1 P28482 3/20 0.45

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
SCHEMBL28311804 0.88 ADRA2C (0.53) HRH4ADRA2CGAAMAPTNCF1
SCHEMBL5451029 0.88 MEN1 (0.52) HSP90AA1HSP90AB1IDO1PSMB5HRH4
SCHEMBL15161267 0.84 SMN1; SMN2 (0.56) HRH4SMN1; SMN2GAAMEN1USP2
SCHEMBL27732003 0.82 MAPT (0.62) HSP90AA1HSP90AB1IDO1PSMB5SMN1; SMN2
SCHEMBL30744915 0.78 KDM4E (0.57) SMN1; SMN2GAAMEN1USP2LMNA
SCHEMBL3623865 0.78 ADRA2C (0.62) HRH4ADRA2CGAAKMT2AMAPT
SCHEMBL29509033 0.78 ADRA2C (0.62) HRH4ADRA2CGAAKMT2AMAPT
SCHEMBL3627022 0.77 MAPT (0.79) HSP90AA1ADRA2CSMN1; SMN2MEN1USP2
SCHEMBL22858556 0.75 METAP2 (0.46) HSP90AA1HSP90AB1IDO1PSMB5HRH4
SCHEMBL18284881 0.74 ADRA2C (0.58) HRH4ADRA2CGAAMAPTNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 US disclosed
WO-2021003417-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-07 WO disclosed
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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 (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-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof TNK1, TNNI3K, TYK2 HSP90AA1 3028/4885HSP90AB1 2784/4885IDO1 1763/4885
US-20070066599-A1 New compounds SULT2A1, GPR119, STS HSP90AA1 1430/4885HSP90AB1 1494/4885IDO1 3029/4885
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof TNK1, TNNI3K, TYK2 HSP90AA1 3028/4885HSP90AB1 2784/4885IDO1 1763/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HSP90AA1 1042/4885HSP90AB1 1204/4885IDO1 2723/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 HSP90AA1 1302/4885HSP90AB1 1256/4885IDO1 1126/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HSP90AA1 1042/4885HSP90AB1 1204/4885IDO1 2723/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HSP90AA1 1430/4885HSP90AB1 1494/4885IDO1 3029/4885

“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.