SCHEMBL22062891

SCHEMBL22062891

Cc1cc(N)nc(C(C)(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.38
NOS3 P29474 8/20 0.38
NOS1 P29475 7/20 0.38
BACE1 P56817 1/20 0.38
POLB P06746 1/20 0.37
PRMT5 O14744 1/20 0.35
REN P00797 1/20 0.31

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
SCHEMBL29295852 0.79 NOS3 (0.34) NOS2NOS3NOS1POLB
SCHEMBL22062964 0.79 NOS3 (0.36) NOS2NOS3NOS1BACE1POLB
SCHEMBL25695984 0.77 ATM (0.40) POLB
SCHEMBL21733359 0.76 HSP90AA1 (0.35) NOS2NOS3NOS1BACE1POLB
SCHEMBL22062895 0.76 BACE1 (0.42) NOS2NOS3NOS1BACE1POLB
SCHEMBL25696344 0.76 NOS2 (0.40) NOS2NOS3NOS1BACE1POLB
SCHEMBL3176326 0.76 HSD17B10 (0.34)
SCHEMBL25951829 0.74
SCHEMBL20457062 0.74 CYP2C19 (0.34)
SCHEMBL24854515 0.74 NOS3 (0.36) NOS2NOS3NOS1BACE1POLB

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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 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
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (4 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NOS2 3039/4885NOS3 3408/4885NOS1 3354/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 NOS2 4814/4885NOS3 4780/4885NOS1 4726/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS NOS2 3039/4885NOS3 3408/4885NOS1 3354/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS NOS2 3039/4885NOS3 3408/4885NOS1 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.