SCHEMBL3534071

SCHEMBL3534071

CC(C)(C)[Si](C)(C)OCc1cccc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.38
NOS3 P29474 3/20 0.38
BACE1 P56817 5/20 0.38
APP P05067 2/20 0.37
NOS1 P29475 4/20 0.37
IDH1 O75874 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ASIC3 Q9UHC3 1/20 0.32
MPO P05164 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
SCHEMBL5466523 0.84 KCNH2 (0.39) NOS2BACE1NOS1KCNH2IRAK4
SCHEMBL929267 0.83 KCNH2 (0.38) NOS2BACE1NOS1KCNH2IRAK4
SCHEMBL20436590 0.81 KCNH2 (0.39) BACE1KCNH2IRAK4
SCHEMBL28521511 0.81 IRAK4 (0.36) BACE1KCNH2IRAK4
SCHEMBL20416847 0.81 KCNH2 (0.39) BACE1KCNH2IRAK4
SCHEMBL15968790 0.81 MEN1 (0.39) NOS2NOS3BACE1KCNH2IRAK4
SCHEMBL30505267 0.81 MEN1 (0.39) NOS2NOS3BACE1KCNH2IRAK4
SCHEMBL23355664 0.80 IRAK4 (0.33) BACE1KCNH2IRAK4
SCHEMBL4712759 0.80 HRH1 (0.37) NOS2BACE1NOS1KCNH2IRAK4
SCHEMBL4715736 0.79 KCNH2 (0.38) BACE1KCNH2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655677-B Benzimidazole compounds as agrochemicals 瑞戴格作物保护公司 2024-05-03 CN disclosed
EP-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 EP disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 EP disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-20220144808-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2022-05-12 US disclosed
CN-109071495-B Agricultural chemicals 瑞戴格作物保护公司 2022-04-19 CN disclosed
EP-3697771-B1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2022-04-06 EP disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 US disclosed
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2006-05-18 US disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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 (6 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NOS2 895/4885NOS3 718/4885BACE1 2477/4885
US-20220144808-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 NOS2 3024/4885NOS3 4021/4885BACE1 4667/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 NOS2 895/4885NOS3 718/4885BACE1 2477/4885
US-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 NOS2 2119/4885NOS3 1730/4885BACE1 3075/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB NOS2 2426/4885NOS3 1864/4885BACE1 3316/4885
US-11641858-B2 Agricultural chemicals DDT, CYP4X1, CYP1A2 NOS2 381/4885NOS3 205/4885BACE1 1620/4885

“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.