SCHEMBL22757498

SCHEMBL22757498

CCSCc1c(C)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 13/20 0.38
▸ ESR1 P03372 11/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ AXL P30530 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33

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
SCHEMBL20850537 0.82 CDK2 (0.43) ESR2ESR1IDO1CDK2FLT3
SCHEMBL21986879 0.77 NOS1 (0.42) ESR2ESR1IDO1CDK2FLT3
SCHEMBL21986864 0.77 IDO1 (0.40) ESR2ESR1IDO1CDK2CCNA1
SCHEMBL25791157 0.74 AKT2 (0.43) IDO1CDK2FLT3CCNA1NOS1
SCHEMBL8404436 0.70 IDO1 (0.46) ESR2ESR1IDO1CDK2FLT3
SCHEMBL21250571 0.70 PDPK1 (0.37) CDK2FLT3
SCHEMBL21986783 0.70 IDO1 (0.37) ESR2ESR1IDO1CDK2FLT3
SCHEMBL22864052 0.69 JAK2 (0.38) ESR2ESR1IDO1CDK2FLT3
SCHEMBL25808844 0.68 ESR1 (0.41) ESR2ESR1IDO1CDK2FLT3
SCHEMBL21938210 0.68 IDO1 (0.38) ESR2ESR1IDO1CDK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 — — US disclosed
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-12-10 — — 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 (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-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ESR2 1546/4885ESR1 522/4885IDO1 4717/4885
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ESR2 1209/4885ESR1 374/4885IDO1 4757/4885

“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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