SCHEMBL22644115

SCHEMBL22644115

COC(=O)c1coc(C(=O)c2c[nH]c3ccccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 1/20 0.63
NR4A2 P43354 3/20 0.59
CREBBP Q92793 1/20 0.59
GPR84 Q9NQS5 1/20 0.51
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PIM1 P11309 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47

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
SCHEMBL23867541 0.87 KMT2A (0.48) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL23551355 0.85 GPR84 (0.56) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL21366096 0.83 NR4A2 (0.65) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL21366224 0.80 MEN1 (0.68) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL21366110 0.79 MAPT (0.72) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL21366231 0.79 MEN1 (0.67) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL30100928 0.78 MAPT (0.52) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL22462594 0.78 NR4A2 (0.65) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL22644138 0.77 MAPT (0.61) MEN1KMT2AMAPTNR4A2CREBBP
SCHEMBL29567209 0.77 MEN1 (1.00) MEN1KMT2AMAPTNR4A2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 US disclosed
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 US disclosed
US-20230054194-A1 Methods of Treating Cancer ARIAGEN, INC. (US) 2023-02-23 US disclosed
US-11459322-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-10-04 US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
US-20210179604-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2021-06-17 US disclosed
US-20200354353-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2020-11-12 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 (6 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MEN1 4851/4885KMT2A 1031/4885MAPT 4673/4885
US-20210179604-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MEN1 2883/4885KMT2A 1124/4885MAPT 2556/4885
US-11459322-B2 Indole compounds and their use IDO1, IDO2, INMT MEN1 2883/4885KMT2A 1124/4885MAPT 2556/4885
US-20200354353-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MEN1 2883/4885KMT2A 1124/4885MAPT 2556/4885
US-20230054194-A1 Methods of Treating Cancer TP53, MSH2, PDCD1 MEN1 1911/4885KMT2A 1118/4885MAPT 3515/4885
US-20230145074-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MEN1 2883/4885KMT2A 1124/4885MAPT 2556/4885

“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.