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Sugi Predict / Compounds / SCHEMBL20558018

SCHEMBL20558018

SCHEMBL20558018

CC(C)n1cnc2c(NCCc3c[nH]c4cccnc34)nc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.54
▸ CDK5 Q00535 14/20 0.52
▸ CDK5R1 Q15078 13/20 0.52
▸ CDK2 P24941 12/20 0.52
▸ CCNA2 P20248 9/20 0.52
▸ CCNA1 P78396 9/20 0.52
▸ DYRK1A Q13627 8/20 0.52
▸ CCNE1 P24864 2/20 0.51
▸ CCNE2 O96020 1/20 0.51
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CDK9 P50750 1/20 0.40

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
SCHEMBL20542192 0.83 CDK2 (0.52) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL20558157 0.81 CDK2 (0.44) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL31747018 0.81 CDK2 (0.44) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL17628610 0.78 CDK1 (0.79) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL2358849 0.77 CDK2 (0.58) CDK1CDK2CCNE1CCNE2NPC1
SCHEMBL27319288 0.75 NPC1 (0.39) CDK2CCNA2NPC1POLBCYP2D6
SCHEMBL30867166 0.75 NPC1 (0.39) CDK2CCNA2NPC1POLBCYP2D6
SCHEMBL20541883 0.75 CDK1 (0.59) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL30579416 0.75 CDK1 (0.59) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL2359490 0.75 CYP1A2 (0.52) CDK1CDK5CDK5R1CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 — — EP disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 — — EP disclosed
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2025-04-17 — — US disclosed
US-12077542-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-09-03 — — US disclosed
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 — — CN disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 — — 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-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-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-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
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
US-20180327411-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2018-11-15 — — 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 (8 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-20180327411-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885
US-12077542-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK1 2497/4885CDK5 1931/4885CDK5R1 1393/4885

“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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