SCHEMBL3160202

SCHEMBL3160202

CC(C)(C)c1csc(N2CCNCC2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
OGA O60502 1/20 0.45
BAZ2A Q9UIF9 7/20 0.43
AOC3 Q16853 2/20 0.41
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRB1 P08588 2/20 0.37
PLAT P00750 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRA2A P08913 1/20 0.35
HTR2C P28335 1/20 0.35
AXL P30530 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35

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 SCHEMBL17541653 0.98 LMNA (0.65) LMNAOGABAZ2AAOC3CTSB
Tert-Butyl Formate SCHEMBL28264027 0.87 LMNA (0.52) LMNAOGABAZ2AAOC3CTSB
SCHEMBL10236327 0.84 LMNA (0.73) LMNAOGACTSBCTSSCTSK
SCHEMBL2826722 0.83 ADRB1 (0.49) LMNAOGABAZ2AAOC3CTSB
SCHEMBL19846720 0.83 LMNA (0.71) LMNAOGACTSBCTSSCTSK
SCHEMBL16836629 0.82 LMNA (0.47) LMNABAZ2AAOC3HRH4HRH3
Hydrochloric Acid SCHEMBL2273378 0.82 ADRB1 (0.48) LMNAOGABAZ2AAOC3CTSB
Tebatizole SCHEMBL2109373 0.81 LMNA (0.69) LMNAOGACTSBCTSSCTSK
SCHEMBL2228747 0.81 BAZ2A (0.49) LMNAOGABAZ2AAOC3ADRB1
Tebatizole SCHEMBL11700804 0.80 LMNA (0.67) LMNAOGACTSBCTSSCTSK

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
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO disclosed
US-4892879-A 1-substituted-4-(thiazolyl-2-)-piperazines, -piperidines and tetrahydro-pyridines useful as anxioltic, psychogeriatric, antisepressant and antischiziphrenic agents SANDOZ PHARM. CORP. (US) 1990-01-09 US disclosed
US-4737500-A 1-substituted-4-(thiazolyl-2-)-piperazines, -piperidines and -tetrahydropyridines useful as anxiolytic, psychogeriatric, antidepressant and antischizophrenic agents SANDOZ PHARM. CORP. (US) 1988-04-12 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 (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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4121/4885OGA 2637/4885BAZ2A 1392/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4289/4885OGA 2394/4885BAZ2A 1015/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 LMNA 4181/4885OGA 3949/4885BAZ2A 636/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 LMNA 4289/4885OGA 2394/4885BAZ2A 1015/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4121/4885OGA 2637/4885BAZ2A 1392/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 LMNA 2615/4885OGA 4512/4885BAZ2A 1113/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 LMNA 4181/4885OGA 3949/4885BAZ2A 636/4885

“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.