SCHEMBL24070968

SCHEMBL24070968

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.35
NOS2 P35228 5/20 0.35
NOS1 P29475 4/20 0.35
KRAS P01116 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 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
SCHEMBL25811662 0.78 NOS2 (0.39) NOS3NOS2NOS1KRASGABRP
SCHEMBL21733375 0.78 NOS2 (0.39) NOS3NOS2NOS1HRH4
SCHEMBL22062889 0.78 GABRP (0.38) NOS3NOS2NOS1KRASGABRP
SCHEMBL22029121 0.77 KRAS (0.37) NOS3NOS2NOS1KRASGABRP
SCHEMBL27300605 0.77 NOS2 (0.34) NOS3NOS2NOS1
SCHEMBL30826909 0.77 KRAS (0.37) NOS3NOS2NOS1KRASGABRP
SCHEMBL22062963 0.75 NOS3 (0.33) NOS3NOS2NOS1KRASGABRP
SCHEMBL25724475 0.73 KRAS (0.32) NOS3NOS2NOS1KRASGABRP
SCHEMBL25827014 0.72 NOS3 (0.38) NOS3NOS2NOS1KRASHRH4
SCHEMBL16232927 0.69 ALDH1A1 (0.38) NOS3NOS2NOS1GABRA1GABRB2

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 NOS3 4780/4885NOS2 4814/4885NOS1 4726/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NOS3 4762/4885NOS2 4765/4885NOS1 4692/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS NOS3 3408/4885NOS2 3039/4885NOS1 3354/4885

“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.