SCHEMBL20542201

SCHEMBL20542201

CC(C)c1cnn2c(O)ccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CDK2 P24941 5/20 0.32
CDK5 Q00535 4/20 0.32
CDK7 P50613 4/20 0.32
CDK5R1 Q15078 3/20 0.32
CCNT1 O60563 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK9 P50750 2/20 0.32
CCNH P51946 2/20 0.32
CCNA2 P20248 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL11951634 0.81 KDM4E (0.38) KDM4EHTTALDH1A1CDK2CDK5
SCHEMBL12913573 0.81 GPR119 (0.37) KDM4EHTTALDH1A1HPGDCLK4
SCHEMBL1369575 0.79 KDM4E (0.34) KDM4EHTTALDH1A1HPGDCLK4
SCHEMBL20558034 0.79 GPR119 (0.36) KDM4EHTTALDH1A1CDK2CDK5
SCHEMBL13153941 0.77 KDM4E (0.56) KDM4EHTTALDH1A1HPGDCLK4
SCHEMBL24938786 0.76 KDM4E (0.36) KDM4EHTTALDH1A1HPGDCLK4
SCHEMBL11951631 0.76 AHR (0.40) KDM4ECDK2CDK5CDK7CDK5R1
SCHEMBL11951643 0.73 CDK7 (0.39) CDK2CDK5CDK7CDK5R1CCNT1
SCHEMBL19201115 0.73 KDR (0.44) KDM4EHTTALDH1A1HPGDCLK4
SCHEMBL127121 0.73 SMPD3 (0.43) KDM4EHTTALDH1A1HPGDCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
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
EP-3612030-A2 INDOLE AHR INHIBITORS AND USES THEREOF Kyn Therapeutics (US) 2020-02-26 EP disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 US disclosed
CN-110831600-A Indole AHR inhibitors and uses thereof 金恩医疗公司 2020-02-21 CN disclosed
WO-2018195397-A2 INDOLE AHR INHIBITORS AND USES THEREOF KYN THERAPEUTICS (US) 2018-10-25 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 (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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 KDM4E 923/4885HTT 274/4885ALDH1A1 316/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 KDM4E 923/4885HTT 274/4885ALDH1A1 316/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 KDM4E 923/4885HTT 274/4885ALDH1A1 316/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 KDM4E 923/4885HTT 274/4885ALDH1A1 316/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 KDM4E 923/4885HTT 274/4885ALDH1A1 316/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KDM4E 3667/4885HTT 2463/4885ALDH1A1 4633/4885

“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.