SCHEMBL25607618

SCHEMBL25607618

CC(C)(C)[Si](C)(C)OCc1nc(/C=C/[N+](=O)[O-])ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 11/20 0.36
▸ VCP P55072 1/20 0.34
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ TLR4 O00206 1/20 0.31
▸ TLR2 O60603 1/20 0.31
▸ MITF O75030 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL25607619 0.81 CCR1 (0.33) BACE1
SCHEMBL29792001 0.81 CCR1 (0.33) BACE1
SCHEMBL29792064 0.79 VCP (0.39) FBP1VCPALDH1A1MAPTSMN1; SMN2
SCHEMBL25607620 0.78 — —
SCHEMBL29792007 0.71 TLR4 (0.35) FBP1MAOAMAOBTLR4TLR2
SCHEMBL25607621 0.71 TACR1 (0.31) —
SCHEMBL29792003 0.69 GRM5 (0.38) FBP1TLR4TLR2HSP90AA1
SCHEMBL1750919 0.67 FBP1 (0.47) FBP1VCPMAOAMAOBTLR4
SCHEMBL1750918 0.67 FBP1 (0.47) FBP1VCPMAOAMAOBTLR4
SCHEMBL21713928 0.66 CCR1 (0.33) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 — — US disclosed
CN-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 — — CN 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 FBP1 964/4885VCP 3573/4885MAOA 595/4885

“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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