SCHEMBL17837498

SCHEMBL17837498

C[Si](C)(C)C#Cc1nccnc1N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.31
▸ NOS2 P35228 3/20 0.31
▸ NOS1 P29475 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
SCHEMBL29846963 1.00 NOS3 (0.31) NOS3NOS2NOS1
SCHEMBL29552440 0.78 TLR7 (0.31) —
SCHEMBL12389423 0.77 NOS3 (0.33) NOS3NOS2NOS1
SCHEMBL28238762 0.74 — —
SCHEMBL30743598 0.74 NOS3 (0.36) NOS3NOS2NOS1
SCHEMBL5925876 0.74 NOS3 (0.36) NOS3NOS2NOS1
SCHEMBL22876719 0.73 — —
SCHEMBL17857743 0.72 NOS3 (0.30) NOS3NOS2NOS1
SCHEMBL18625352 0.72 NOS3 (0.30) NOS3NOS2NOS1
SCHEMBL21254693 0.72 NOS3 (0.30) NOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 — — CN disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 — — EP disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 — — EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 — — US disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 — — US disclosed
WO-2020206583-A1 KINASE INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-10-15 — — WO disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 — — WO disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 — — WO disclosed
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 — — EP disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 — — EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 — — WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — 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 (2 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-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 NOS3 341/4885NOS2 583/4885NOS1 351/4885
US-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK NOS3 2029/4885NOS2 1721/4885NOS1 1536/4885

“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.

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