SCHEMBL21754350

SCHEMBL21754350

CC(C)(C)OC(=O)Nc1[nH]ncc1N=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LCK P06239 2/20 0.33
▸ MAPKAPK2 P49137 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL24408329 0.81 CYP17A1 (0.37) CA1CA2NAMPTLMNASMN1; SMN2
SCHEMBL28255203 0.80 CTSK (0.40) RAB9ACA1CA2NAMPTNPC1
SCHEMBL20542063 0.79 CA1 (0.40) CA1CA2NAMPTCYP17A1ATR
SCHEMBL21754348 0.77 CA1 (0.36) RAB9ACA1CA2NAMPTKDM4E
SCHEMBL20557969 0.74 SMN1; SMN2 (0.55) RAB9ACA1CA2NAMPTNPC1
SCHEMBL19026780 0.72 RAB9A (0.36) MIFRAB9ACA1CA2NAMPT
SCHEMBL18209708 0.71 MAPK8 (0.47) RAB9ANAMPTLMNANPC1CYP17A1
SCHEMBL15813381 0.70 CYP4A11 (0.39) PTGDR2
SCHEMBL15813380 0.70 CYP17A1 (0.34) RAB9ACA1CA2NAMPTKDM4E
SCHEMBL14116752 0.70 RAB9A (0.34) MIFRAB9ACA1CA2NAMPT

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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 — — US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 — — US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 — — US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 — — 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 (5 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 MIF 302/4885RAB9A 4560/4885CA1 3888/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 MIF 302/4885RAB9A 4560/4885CA1 3888/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 MIF 302/4885RAB9A 4560/4885CA1 3888/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 MIF 302/4885RAB9A 4560/4885CA1 3888/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 MIF 302/4885RAB9A 4560/4885CA1 3888/4885

“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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