SCHEMBL24408329

SCHEMBL24408329

CNc1cn[nH]c1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 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
SCHEMBL28255203 0.81 CTSK (0.40) CYP17A1CA1CA2NAMPTATR
SCHEMBL21754350 0.81 MIF (0.38) CYP17A1CA1CA2NAMPTATR
SCHEMBL20542063 0.80 CA1 (0.40) CYP17A1CA1CA2NAMPTATR
SCHEMBL21754348 0.78 CA1 (0.36) CYP17A1CA1CA2NAMPTATR
SCHEMBL20557969 0.75 SMN1; SMN2 (0.55) CA1CA2NAMPTSMN1; SMN2NR1H2
SCHEMBL18209708 0.75 MAPK8 (0.47) CYP17A1NAMPTATRRXFP1METAP1
SCHEMBL20268132 0.74 CYP17A1 (0.36) CYP17A1NAMPTATRRXFP1METAP1
SCHEMBL15813381 0.72 CYP4A11 (0.39) —
SCHEMBL15813380 0.72 CYP17A1 (0.34) CYP17A1CA1CA2NAMPTLMNA
SCHEMBL16845713 0.70 AXL (0.43) —

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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 — — US disclosed
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 — — CN 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CYP17A1 104/4885CA1 3888/4885CA2 2880/4885

“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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