SCHEMBL1496032

SCHEMBL1496032

NC(=O)c1nnc(NC2CCCOC2)c2cc(-c3cccc(F)c3)sc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.56
KCNH2 Q12809 2/20 0.55
CDK2AP1 O14519 1/20 0.41

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
SCHEMBL1496154 0.95 CHEK1 (0.53) CHEK1KCNH2
SCHEMBL1496019 0.92 CHEK1 (0.60) CHEK1KCNH2
SCHEMBL1496010 0.90 CHEK1 (0.62) CHEK1KCNH2
SCHEMBL1496054 0.90 CHEK1 (0.56) CHEK1KCNH2
SCHEMBL12172198 0.89 CHEK1 (0.61) CHEK1KCNH2CDK2AP1
SCHEMBL1496089 0.87 CHEK1 (0.73) CHEK1KCNH2
SCHEMBL1496152 0.87 CHEK1 (0.60) CHEK1KCNH2
SCHEMBL1496133 0.87 CHEK1 (0.57) CHEK1KCNH2
SCHEMBL29900088 0.85 CHEK1 (0.76) CHEK1KCNH2
SCHEMBL1496020 0.85 CHEK1 (0.76) CHEK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2477496-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION Wu, Zhanggui (US) 2012-07-25 EP claimed
WO-2011035077-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2011-03-24 WO claimed
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 (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-20150072987-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885KCNH2 4177/4885CDK2AP1 66/4885
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B CHEK1 2/4885KCNH2 4004/4885CDK2AP1 68/4885

“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.