SCHEMBL24373847

SCHEMBL24373847

CCc1ccc2[nH]ncc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.46
▸ AXL P30530 1/20 0.46
▸ TRPA1 O75762 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ ESR2 Q92731 8/20 0.40
▸ ESR1 P03372 7/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ METAP2 P50579 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ TDO2 P48775 1/20 0.36

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
SCHEMBL20439436 0.80 TRPA1 (0.42) NOS1AXLTRPA1ESR2ESR1
SCHEMBL22967212 0.79 NOS1 (0.46) NOS1AXLTRPA1ESR2ESR1
SCHEMBL21196087 0.79 TRPA1 (0.41) NOS1AXLTRPA1GABRA1GABRB2
SCHEMBL23685818 0.79 TRPA1 (0.44) NOS1AXLTRPA1ESR2ESR1
SCHEMBL29957643 0.78 TRPA1 (0.38) NOS1AXLTRPA1ESR2ESR1
SCHEMBL23977589 0.76 TRPA1 (0.39) NOS1AXLTRPA1ESR2ESR1
SCHEMBL27426346 0.76 TRPA1 (0.39) NOS1AXLTRPA1ESR2ESR1
SCHEMBL2005907 0.76 NOS1 (0.55) NOS1AXLTRPA1IDO1METAP2
SCHEMBL4133588 0.76 NOS1 (0.50) NOS1AXLTRPA1ESR2ESR1
SCHEMBL29428710 0.76 NOS1 (0.50) NOS1AXLTRPA1ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 — — US disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 — — EP disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 — — WO disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 — — 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 (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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC NOS1 4788/4885AXL 3140/4885TRPA1 2951/4885

“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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