SCHEMBL3347212

SCHEMBL3347212

Cn1cncc1C#C[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
HSP90AA1 P07900 1/20 0.35
ATM Q13315 3/20 0.35
NMT1 P30419 1/20 0.34
UBE2N P61088 1/20 0.33
PSMD14 O00487 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
IDO1 P14902 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL17552571 0.77 TDP1 (0.42) TDP1HSP90AA1ATMNMT1UBE2N
SCHEMBL21252647 0.77
SCHEMBL18430927 0.73 TDP1 (0.38) TDP1HSP90AA1ATMNMT1UBE2N
SCHEMBL12590718 0.73 TDP1 (0.38) TDP1HSP90AA1ATMNMT1UBE2N
SCHEMBL378803 0.71
SCHEMBL13743863 0.71 GRM5 (0.45) TDP1HSP90AA1ATMNMT1PSMD14
SCHEMBL6208653 0.71 TDP1 (0.52) TDP1HSP90AA1ATMNMT1UBE2N
SCHEMBL31014345 0.67 IDO1 (0.31) IDO1
SCHEMBL22535086 0.67 NMT1 (0.35) TDP1HSP90AA1ATMNMT1UBE2N
SCHEMBL12461186 0.67 TDP1 (0.46) TDP1HSP90AA1ATMNMT1UBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111900477-A High-voltage lithium ion battery electrolyte film-forming additive, electrolyte and battery thereof 松山湖材料实验室 2020-11-06 CN disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 US disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 US disclosed
CN-103467385-B Bicyclic heteroaryl compounds ARIAD GENE THERAPEUTICS INC. (US) 2016-03-09 CN disclosed
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
EP-2024366-B1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2015-09-16 EP disclosed
CN-101918362-B Pyridine derivatives NOVARTIS AG 2013-11-27 CN disclosed
WO-2013159135-A1 DISPERSION INK SEPIAX INK TECHNOLOGY GMBH (AT) 2013-10-31 WO disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
CN-101918362-A Pyridine derivatives NOVARTIS AG 2010-12-15 CN disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
WO-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
EP-2024366-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2009-02-18 EP disclosed
WO-2007133562-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 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 (4 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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 TDP1 4626/4885HSP90AA1 4130/4885ATM 4513/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 TDP1 4450/4885HSP90AA1 4271/4885ATM 4679/4885
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK TDP1 3297/4885HSP90AA1 4151/4885ATM 3042/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 TDP1 4450/4885HSP90AA1 4271/4885ATM 4679/4885

“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.