Sugi Predict

Sugi Predict / Compounds / SCHEMBL25811662

SCHEMBL25811662

SCHEMBL25811662

CCc1cc(N)nc(C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 9/20 0.39
▸ NOS3 P29474 7/20 0.39
▸ NOS1 P29475 6/20 0.38
▸ AR P10275 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34

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
SCHEMBL18310637 0.84 NOS2 (0.40) NOS2NOS3NOS1GABRPGABRD
SCHEMBL22062889 0.82 GABRP (0.38) NOS2NOS3NOS1ARHSP90AA1
SCHEMBL22029121 0.81 KRAS (0.37) NOS2NOS3NOS1ARHSP90AA1
SCHEMBL30826909 0.81 KRAS (0.37) NOS2NOS3NOS1ARHSP90AA1
SCHEMBL22062963 0.79 NOS3 (0.33) NOS2NOS3NOS1ARGABRP
SCHEMBL24070968 0.78 NOS3 (0.35) NOS2NOS3NOS1ARGABRP
SCHEMBL21733973 0.77 NOS2 (0.40) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL25724475 0.77 KRAS (0.32) NOS2NOS3NOS1GABRPGABRD
SCHEMBL24069976 0.76 NOS2 (0.37) NOS2NOS3NOS1ARGABRP
SCHEMBL17236140 0.76 NOS2 (0.42) NOS2NOS3NOS1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 — — US disclosed
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 — — US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 — — US disclosed
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 — — WO disclosed
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 — — 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 (3 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS NOS2 4621/4885NOS3 4566/4885NOS1 4542/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L NOS2 4592/4885NOS3 4696/4885NOS1 4756/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 NOS2 3912/4885NOS3 3905/4885NOS1 4313/4885

“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.