Sugi Predict

Sugi Predict / Compounds / SCHEMBL517759

SCHEMBL517759

SCHEMBL517759

Clc1ncc(Br)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.52
▸ CCNK O75909 1/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CDK12 Q9NYV4 1/20 0.52
▸ CLK1 P49759 2/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ CDK5R1 Q15078 2/20 0.49
▸ RPS6KA5 O75582 1/20 0.49
▸ PDGFRB P09619 2/20 0.46
▸ TDO2 P48775 2/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HTR5A P47898 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44

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
SCHEMBL29618073 1.00 CCNT1 (0.52) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29613520 0.85 RPS6KA5 (0.66) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL517461 0.85 RPS6KA5 (0.66) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL517438 0.83 JAK2 (0.55) CCNT1CCNKCDK9CDK12CLK1
SCHEMBL22510124 0.83 CDK5 (0.56) CLK1CDK5CDK5R1RPS6KA5PDGFRB
SCHEMBL23152046 0.83 CLK1 (0.71) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL518282 0.83 CDK5 (0.49) CLK1CDK5CDK5R1RPS6KA5PDGFRB
SCHEMBL24839575 0.83 CLK1 (0.71) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30957423 0.83 CDK5 (0.49) CLK1CDK5CDK5R1RPS6KA5PDGFRB
SCHEMBL30687302 0.83 CLK1 (0.71) CCNT1CCNKCCNE1CDK2CDK9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292378-B Indole derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-06 — — CN disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
CN-116018141-A Salt and crystal form containing indole derivatives, and preparation method and application thereof 上海翰森生物医药科技有限公司 2023-04-25 — — CN disclosed
US-20220340547-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-10-27 — — US disclosed
WO-2022105882-A1 SALT AND CRYSTAL FORM OF INDOLE-CONTAINING DERIVATIVE, AND PREPARATION METHODS THEREFOR AND APPLICATIONS THEREOF 上海翰森生物医药科技有限公司 2022-05-27 — — WO disclosed
CN-114539226-A Crystal form containing indole derivative free base and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-05-27 — — CN disclosed
EP-3974423-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-30 — — EP disclosed
EP-3974423-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-30 — — EP disclosed
CN-112292378-A Indole derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-01-29 — — CN disclosed
WO-2020233669-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 (CN) 2020-11-26 — — WO disclosed
WO-2019177375-A1 2, 4, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 포로노이바이오 주식회사 2019-09-19 — — WO disclosed
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 — — EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 — — US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 — — WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 — — 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 (2 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 CCNT1 344/4885CCNK 139/4885CCNE1 424/4885
US-20220340547-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ERBB2, EGFR, ABL1 CCNT1 385/4885CCNK 669/4885CCNE1 523/4885

“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.