SCHEMBL2886167

SCHEMBL2886167

C[Si](C)(C)c1cn(-c2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
NOTUM Q6P988 4/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
FLT3 P36888 3/20 0.42
MIF P14174 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CD74 P04233 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.41
ESRRA P11474 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TYMS P04818 1/20 0.39

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
SCHEMBL28048822 0.81 CA12 (0.44) P2RX7NOTUMMAOAL3MBTL1CA12
SCHEMBL29479281 0.81 NOTUM (0.53) P2RX7NOTUML3MBTL1CA12CA1
SCHEMBL3679115 0.81 CA12 (0.48) P2RX7NOTUMCA12CA1CA2
SCHEMBL31636683 0.79 NOTUM (0.57) NOTUMCA12CA1CA2CA9
SCHEMBL13727128 0.76 RXRA (0.48) CA12CA1CA2CA9ESRRA
SCHEMBL2629357 0.75 P2RX7 (0.55) P2RX7NOTUMMAOAL3MBTL1CA12
SCHEMBL13119830 0.74 P2RX7 (0.50) P2RX7NOTUMMAOAL3MBTL1MIF
SCHEMBL2885848 0.74 NOTUM (0.55) NOTUMCA12CA1CA2CA9
SCHEMBL3753209 0.74 HTT (0.49) CA12CA1CA2CA9NPC1
SCHEMBL2829927 0.73 KEAP1 (0.64) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP disclosed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP 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 (1 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B P2RX7 1337/4885NOTUM 3935/4885MAOA 1109/4885

“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.