SCHEMBL1137069

SCHEMBL1137069

C[Si](C)(C)C#Cc1ccc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 4/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 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
SCHEMBL29350657 1.00 ADRA2A (0.37) ADRA2AADRA2BADRA2CDRD2DRD4
SCHEMBL22270434 0.81 ADRA2A (0.41) ADRA2AADRA2BADRA2CDRD2DRD4
SCHEMBL22531721 0.79 BACE1 (0.40) BACE1GRM5
SCHEMBL29471995 0.79 BACE1 (0.40) BACE1GRM5
SCHEMBL3958689 0.78 CCR1 (0.43) ADRA2AADRA2BADRA2CRAB9AGRM5
SCHEMBL1914210 0.78 GRM5 (0.39) GRM5KMT2A
SCHEMBL3348341 0.76 GRM5 (0.51) BACE1GRM5
SCHEMBL19453039 0.76 HCAR2 (0.34) GRM5
SCHEMBL3212577 0.76 ADRA2A (0.36) ADRA2AADRA2BADRA2CKDM4EGRM5
SCHEMBL8973225 0.76 ADRA2A (0.36) ADRA2AADRA2BADRA2CBACE1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215510-B1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2023-06-07 EP disclosed
US-11400095-B2 Substituted imidazo[1,5-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-08-02 US disclosed
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
EP-3481819-B1 COMPOUNDS AND THEIR USE FOR REDUCING URIC ACID LEVELS ACQUIST LLC (US) 2022-06-01 EP disclosed
CN-109476642-B Compounds and their use for reducing uric acid levels 阿奎斯特有限责任公司 2022-01-25 CN disclosed
US-20210236495-A1 Compounds and Their Use for Reducing Uric Acid Levels ACQUIST LLC (US) 2021-08-05 US disclosed
WO-2021136464-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2021-07-08 WO disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 US disclosed
US-20210169886-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-10 US disclosed
US-11020397-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2021-06-01 US disclosed
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-7714138-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 US disclosed
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-26 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459562-B2 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP ADRA2A 1040/4885ADRA2B 1491/4885ADRA2C 1305/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ADRA2A 1040/4885ADRA2B 1491/4885ADRA2C 1305/4885
US-20210169886-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, SNCA ADRA2A 432/4885ADRA2B 1043/4885ADRA2C 554/4885
US-20090054436-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 ADRA2A 4243/4885ADRA2B 3605/4885ADRA2C 3167/4885
US-20210236495-A1 Compounds and Their Use for Reducing Uric Acid Levels XDH, OAT, URB2 ADRA2A 3488/4885ADRA2B 3978/4885ADRA2C 3753/4885
US-11400095-B2 Substituted imidazo[1,5-a]pyrimidines and their use in the treatment of medical disorders GBA1, GAA, SNCA ADRA2A 432/4885ADRA2B 1043/4885ADRA2C 554/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 ADRA2A 4243/4885ADRA2B 3605/4885ADRA2C 3167/4885
US-11020397-B2 Compounds and their use for reducing uric acid levels XDH, OAT, UGT2B7 ADRA2A 2741/4885ADRA2B 2865/4885ADRA2C 2798/4885
US-20100183606-A1 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS CDK2, MAP3K19, CDK1 ADRA2A 4243/4885ADRA2B 3605/4885ADRA2C 3167/4885

“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.