SCHEMBL588694

SCHEMBL588694

C[Si](C)(C)C#Cc1cnc2c(OCc3ccccc3)cccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.50
ATP4B P51164 3/20 0.50
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PSEN1 P49768 6/20 0.45
PSEN2 P49810 6/20 0.45
APH1B Q8WW43 6/20 0.45
NCSTN Q92542 6/20 0.45
APH1A Q96BI3 6/20 0.45
PSENEN Q9NZ42 6/20 0.45
MAPK8 P45983 3/20 0.41
MAPK9 P45984 3/20 0.41

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
SCHEMBL15510901 0.84 AOC3 (0.41) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL13194834 0.81 TLR7 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9PSEN1
SCHEMBL11067355 0.76 ATP4A (0.60) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL2193526 0.75 ATP4A (0.63) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL9748655 0.75 ATP4A (0.52) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL31444130 0.75 ATP4A (0.54) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL182618 0.75 ATP4A (0.54) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL14469402 0.74 KDM4E (0.37) DRD2DRD4DRD3MAPT
Iodide SCHEMBL9747433 0.74 ATP4A (0.51) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL183365 0.74 ATP4A (0.48) ATP4AATP4BMAPK1CYP1A2CYP3A4

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 43 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
EP-3417912-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2020-08-12 EP disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US 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
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 ATP4A 2742/4885ATP4B 2707/4885MAPK1 26/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ATP4A 4330/4885ATP4B 3556/4885MAPK1 4733/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ATP4A 2742/4885ATP4B 2707/4885MAPK1 26/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ATP4A 4330/4885ATP4B 3556/4885MAPK1 4733/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ATP4A 4330/4885ATP4B 3556/4885MAPK1 4733/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ATP4A 4330/4885ATP4B 3556/4885MAPK1 4733/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ATP4A 2742/4885ATP4B 2707/4885MAPK1 26/4885

“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.