SCHEMBL1496068

SCHEMBL1496068

NC(=O)c1nnc(NC2C=CC=CO2)c2cc(-c3ccc(F)cc3)sc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.49
IKBKB O14920 4/20 0.36
CHUK O15111 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
JAK2 O60674 1/20 0.36
EIF2AK2 P19525 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL1496121 0.92 CHEK1 (0.45) CHEK1JAK2KCNH2LRRK2
SCHEMBL1496116 0.91 CHEK1 (0.49) CHEK1KCNH2LRRK2
SCHEMBL1495988 0.91 CHEK1 (0.60) CHEK1IKBKB
SCHEMBL1496149 0.86 CHEK1 (0.45) CHEK1KCNH2
SCHEMBL1496161 0.86 CHEK1 (0.51) CHEK1IKBKBJAK2KCNH2
SCHEMBL1496133 0.77 CHEK1 (0.57) CHEK1KCNH2LRRK2
SCHEMBL1496013 0.76 CHEK1 (0.58) CHEK1KCNH2
SCHEMBL1496019 0.76 CHEK1 (0.60) CHEK1KCNH2
SCHEMBL1496140 0.76 CHEK1 (0.75) CHEK1KCNH2
SCHEMBL1496087 0.76 CHEK1 (0.43) CHEK1IKBKBCHUKCYP1A2CYP3A4

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 20 patents. 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
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
WO-2021141980-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR WU FAN (US) 2021-07-15 WO disclosed
WO-2021141974-A2 COMBINATION CANCER THERAPY USING CHK INHIBITOR WU FAN (US) 2021-07-15 WO disclosed
US-9487539-B2 Compounds and therapeutic use thereof for protein kinase inhibition SHANGHAI HUAYU BIOTECH CO., LTD (CN) 2016-11-08 US disclosed
EP-2826780-B1 Thieno[2,3-d]pyridazine derivatives and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-06-01 EP disclosed
US-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD (CN) 2015-03-12 US 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 CHEK1 1/4885IKBKB 532/4885CHUK 217/4885
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR CHEK1, CHEK2, DCK CHEK1 1/4885IKBKB 377/4885CHUK 193/4885
US-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885IKBKB 576/4885CHUK 226/4885
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B CHEK1 2/4885IKBKB 575/4885CHUK 213/4885

“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.