Sugi Predict

Sugi Predict / Compounds / SCHEMBL9609620

SCHEMBL9609620

SCHEMBL9609620

C[Si](C)(C)C#Cc1cnc2c(Nc3ccccc3)nccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.43
▸ TLR7 Q9NYK1 6/20 0.40
▸ AURKA O14965 3/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ WEE1 P30291 1/20 0.33
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL9609624 0.82 KDM4E (0.39) TLR7MEN1KMT2AKDM4EALDH1A1
SCHEMBL23235045 0.82 AURKA (0.42) TTKTLR7AURKAAURKB
SCHEMBL9609619 0.82 TTK (0.47) TTKTLR7AURKAMEN1KMT2A
SCHEMBL20687011 0.77 TTK (0.35) TTKAURKAMEN1KMT2AKDM4E
SCHEMBL8240166 0.77 TTK (0.49) TTKAURKACYP1A2CYP3A4CYP2D6
SCHEMBL23235017 0.75 TLR7 (0.40) TLR7
SCHEMBL13954581 0.74 TTK (0.49) TTKAURKAWEE1DHODH
SCHEMBL3469708 0.74 TTK (0.52) TTKAURKACDK1WEE1DHODH
SCHEMBL13955021 0.74 TTK (0.49) TTKAURKAALDH1A1CYP1A2CYP3A4
SCHEMBL14469402 0.70 KDM4E (0.37) TLR7KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3417912-B1 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2020-08-12 — — EP 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-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-20140288082-A1 Bicyclic Heteroaryl Compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2014-09-25 — — US disclosed
US-8778942-B2 Substituted acetylenic imidazo[1,2-A]pyrazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US disclosed
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES ARIAD PHARMACEUTICALS, INC. (US) 2014-02-13 — — US disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
US-20130196979-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-08-01 — — US disclosed
US-8470851-B2 Substituted acetylenic imidazo[1,2-A]pyridine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-06-25 — — 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-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — 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 (9 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-20140066434-A1 Methods and Compositions for Treating Parkinson's Disease PARK7, SNCA, HTT TTK 4616/4885TLR7 3127/4885AURKA 4488/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 TTK 3848/4885TLR7 4750/4885AURKA 1546/4885
US-20130196979-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 TTK 3848/4885TLR7 4750/4885AURKA 1546/4885
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS TTK 446/4885TLR7 3549/4885AURKA 1715/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 TTK 3848/4885TLR7 4750/4885AURKA 1546/4885
US-20140045826-A1 METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES HTT, MAPT, SNCA TTK 4712/4885TLR7 3949/4885AURKA 3898/4885
US-20140288082-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 TTK 3848/4885TLR7 4750/4885AURKA 1546/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 TTK 3848/4885TLR7 4750/4885AURKA 1546/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 TTK 3848/4885TLR7 4750/4885AURKA 1546/4885

“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.