SCHEMBL20541983

SCHEMBL20541983

Cc1[nH]c2c(F)cccc2c1CCNc1nc(-c2cncc(F)c2)nc2c1ncn2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ CDK5 Q00535 10/20 0.40
▸ CDK5R1 Q15078 10/20 0.40
▸ CDK1 P06493 9/20 0.40
▸ CCNB2 O95067 8/20 0.40
▸ CCNB1 P14635 8/20 0.40
▸ CCNB3 Q8WWL7 8/20 0.40
▸ CDK2 P24941 5/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CCNE2 O96020 4/20 0.36
▸ CCNA2 P20248 4/20 0.36
▸ CCNE1 P24864 4/20 0.36
▸ CCNA1 P78396 4/20 0.36
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL30579477 0.92 CDK5 (0.40) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL20542014 0.92 CDK5 (0.40) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL30579354 0.89 AHR (0.43) NTRK1AHRCDK5CDK5R1CDK1
SCHEMBL2356743 0.89 AHR (0.43) NTRK1AHRCDK5CDK5R1CDK1
SCHEMBL20557731 0.86 CDK5 (0.41) NTRK1AHRCDK5CDK5R1CDK1
SCHEMBL2316607 0.85 CDK2 (0.44) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL30315335 0.85 CDK2 (0.44) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL21240842 0.85 CDK2 (0.42) NTRK1AHRCDK5CDK5R1CDK1
SCHEMBL2358503 0.82 CDK2 (0.43) AHRCDK5CDK5R1CDK1CCNB2
SCHEMBL20981874 0.81 CDK2 (0.45) AHRCDK5CDK5R1CDK1CCNB2

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
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-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 (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 NTRK1 1355/4885AHR 1/4885CDK5 1931/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 NTRK1 1355/4885AHR 1/4885CDK5 1931/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 NTRK1 1355/4885AHR 1/4885CDK5 1931/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 NTRK1 1355/4885AHR 1/4885CDK5 1931/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 NTRK1 1355/4885AHR 1/4885CDK5 1931/4885

“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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