SCHEMBL3707526

SCHEMBL3707526

C[Si](C)(C)CCOCn1nc(C#N)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
ACHE P22303 3/20 0.39
MAPT P10636 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
CTRB1 P17538 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
VCAM1 P19320 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30861041 1.00 ELANE (0.40) ELANECNR2CNR1ACHEMAPT
SCHEMBL14442048 0.92 ELANE (0.47) ELANECNR2CNR1ACHEMAPT
SCHEMBL27228071 0.84 CNR2 (0.39) ELANECNR2CNR1ACHEMAPT
SCHEMBL2144860 0.84 CNR2 (0.39) ELANECNR2CNR1ACHEMAPT
SCHEMBL2144335 0.84 CNR2 (0.38) ELANECNR2CNR1ACHEMAPT
SCHEMBL30284921 0.84 CNR2 (0.38) ELANECNR2CNR1ACHEMAPT
Pyridine SCHEMBL5206041 0.83 CNR2 (0.35) ELANECNR2CNR1ACHEF2
SCHEMBL15304350 0.82 ELANE (0.36) ELANEF2PLAUCTRB1ALDH1A1
SCHEMBL5206033 0.82 CNR2 (0.36) ELANECNR2CNR1ACHEMEN1
SCHEMBL3705619 0.82 CNR2 (0.37) ELANECNR2CNR1ACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 ELANE 3260/4885CNR2 1422/4885CNR1 1397/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 ELANE 4632/4885CNR2 2703/4885CNR1 2880/4885

“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.