SCHEMBL588949

SCHEMBL588949

C[Si](C)(C)C#Cc1cnc2c(OS(=O)(=O)C(F)(F)F)cccn12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.31
ESR2 Q92731 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL15061745 0.88 DRD2 (0.32) DRD2ESR2DRD1DRD4DRD5
SCHEMBL10265840 0.80 DRD2 (0.33) DRD2ESR2DRD1DRD4DRD5
SCHEMBL13194834 0.74 TLR7 (0.43)
SCHEMBL590035 0.73 KDM4E (0.39) DRD2DRD4DRD3
SCHEMBL14469402 0.72 KDM4E (0.37) DRD2DRD4DRD3
SCHEMBL20912785 0.71 HDAC8 (0.36) DRD2DRD4DRD3
SCHEMBL9609624 0.69 KDM4E (0.39) DRD2DRD4DRD3
SCHEMBL8442883 0.64 PSEN1 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13403441 0.64 LMNA (0.37) DRD2ESR2DRD1DRD4DRD5
SCHEMBL2577456 0.64 DRD2 (0.34) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 US disclosed
US-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2022-03-17 US disclosed
EP-3747441-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2020-12-09 EP disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2019-01-31 US disclosed
EP-3417912-A1 BICYCLIC HETEROARYL COMPOUNDS ARIAD Pharmaceuticals, Inc. (US) 2018-12-26 EP disclosed
US-20160368917-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2016-12-22 US disclosed
US-20160368917-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2016-12-22 US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
WO-2012139027-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2012-10-11 WO disclosed
EP-2495016-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-09-05 EP disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
EP-1973545-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2008-10-01 EP disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
WO-2007075869-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-07-05 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-20220081440-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 DRD2 4791/4885ESR2 3672/4885DRD1 4652/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 DRD2 1180/4885ESR2 1031/4885DRD1 1766/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 DRD2 4791/4885ESR2 3672/4885DRD1 4652/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 DRD2 1180/4885ESR2 1031/4885DRD1 1766/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 DRD2 1180/4885ESR2 1031/4885DRD1 1766/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 DRD2 1180/4885ESR2 1031/4885DRD1 1766/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 DRD2 4791/4885ESR2 3672/4885DRD1 4652/4885

“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.