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Sugi Predict / Compounds / SCHEMBL1496050

SCHEMBL1496050

SCHEMBL1496050

NC(=O)c1nnc(Nc2cccnc2)c2cc(-c3ccc(Br)cc3)sc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ CHEK1 O14757 2/20 0.44
▸ KDR P35968 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CD38 P28907 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ CDK5 Q00535 3/20 0.37
▸ CDK5R1 Q15078 3/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL1496098 0.92 JAK2 (0.49) JAK2JAK3CHEK1KDRMAPT
SCHEMBL1496105 0.90 CHEK1 (0.54) JAK2JAK3CHEK1KDRMAPT
SCHEMBL1496144 0.90 JAK2 (0.48) JAK2JAK3CHEK1KDRCYP11B1
SCHEMBL1496157 0.87 JAK2 (0.49) JAK2JAK3CHEK1KDRFLT1
SCHEMBL1496118 0.87 JAK2 (0.49) JAK2JAK3CHEK1KDRTP53
SCHEMBL1496109 0.82 JAK2 (0.45) JAK2JAK3CHEK1KDRTP53
SCHEMBL1496108 0.82 CHEK1 (0.45) CHEK1KDRMAPTFLT1CDK5
SCHEMBL1496114 0.81 CHEK1 (0.47) CHEK1KDRFLT1
SCHEMBL1496148 0.81 CHEK1 (0.47) CHEK1KDRFLT1POLB
SCHEMBL29900121 0.78 KDM4E (0.39) JAK2JAK3CHEK1KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2024-01-11 — — US claimed
US-20230049029-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2023-02-16 — — US claimed
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 — — CN claimed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 — — CN claimed
WO-2021141980-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR WU FAN (US) 2021-07-15 — — WO claimed
WO-2021141974-A2 COMBINATION CANCER THERAPY USING CHK INHIBITOR WU FAN (US) 2021-07-15 — — WO claimed
US-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD (CN) 2015-03-12 — — US claimed
US-8815863-B2 Compounds and therapeutic use thereof for protein kinase inhibition SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2014-08-26 — — US claimed
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2012-09-13 — — US claimed
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2024-01-11 — — US disclosed
US-20230049029-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2023-02-16 — — US disclosed
CN-115038440-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 — — CN disclosed
CN-115038439-A Combination cancer therapy with CHK inhibitors 上海华禹生物科技有限公司 2022-09-09 — — CN disclosed
WO-2021141980-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR WU FAN (US) 2021-07-15 — — WO disclosed
EP-2826780-A1 Thieno[2,3-d]pyridazine derivatives and therapeutic use thereof for protein kinase inhibition Wu, Zhanggui (US) 2015-01-21 — — EP disclosed
US-8815863-B2 Compounds and therapeutic use thereof for protein kinase inhibition SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2014-08-26 — — US disclosed
EP-2477496-B1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2014-04-16 — — EP disclosed
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2012-09-13 — — US disclosed
EP-2477496-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION Wu, Zhanggui (US) 2012-07-25 — — EP disclosed
WO-2011035077-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2011-03-24 — — 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 (4 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-20230049029-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR CHEK1, DCK, CHEK2 JAK2 1341/4885JAK3 1409/4885CHEK1 1/4885
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR CHEK1, CHEK2, DCK JAK2 1101/4885JAK3 1182/4885CHEK1 1/4885
US-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 JAK2 839/4885JAK3 1174/4885CHEK1 2/4885
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B JAK2 811/4885JAK3 1095/4885CHEK1 2/4885

“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.