SCHEMBL25827014

SCHEMBL25827014

CC(C)c1nc(N)cc(C2CC2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CNR2 P34972 2/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
KRAS P01116 1/20 0.33
HRH3 Q9Y5N1 3/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MAP3K12 Q12852 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PDE2A O00408 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
SCHEMBL24784940 0.80 KRAS (0.34) NOS3NOS1NOS2CNR2KRAS
SCHEMBL27060353 0.79 PDE2A (0.33) CNR2CYP3A4CYP2D6TSHRCRHBP
SCHEMBL22062848 0.77 KRAS (0.33) CNR2KRAS
SCHEMBL25811660 0.76 KRAS (0.33) KRAS
SCHEMBL24785502 0.76 KRAS (0.35) KRAS
SCHEMBL21733375 0.76 NOS2 (0.39) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL27300605 0.74 NOS2 (0.34) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL24070968 0.72 NOS3 (0.35) NOS3NOS1NOS2KRASHRH4
SCHEMBL27051310 0.70 HTR1D (0.37) NOS3NOS1NOS2ALOX5APFEN1
SCHEMBL24854887 0.68 NOS2 (0.38) NOS3NOS1NOS2HRH4TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US 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 (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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS NOS3 4050/4885NOS1 4651/4885NOS2 4392/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NOS3 4762/4885NOS1 4692/4885NOS2 4765/4885

“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.