SCHEMBL8846397

SCHEMBL8846397

NC(=O)c1nnc(CC2CCSC2)c2cc(-c3ccc(Br)cc3)sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.42
MAP3K8 P41279 1/20 0.33
LRRK2 Q5S007 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL8835139 0.95 CHEK1 (0.42) CHEK1MAP3K8
SCHEMBL8832476 0.90 CHEK1 (0.52) CHEK1MAP3K8RAB9AKDM4EMEN1
SCHEMBL14997521 0.90 CHEK1 (0.42) CHEK1MAP3K8JAK2JAK1TYK2
SCHEMBL8847403 0.90 CHEK1 (0.42) CHEK1MAP3K8LRRK2MEN1CYP1A2
SCHEMBL8835633 0.86 CHEK1 (0.42) CHEK1MAP3K8LRRK2MEN1CYP1A2
SCHEMBL4343193 0.86 CHEK1 (0.52) CHEK1MAP3K8
SCHEMBL14997510 0.86 CHEK1 (0.42) CHEK1MAP3K8JAK2JAK1TYK2
SCHEMBL29900119 0.86 CHEK1 (0.52) CHEK1MAP3K8
SCHEMBL8828250 0.85 CHEK1 (0.41) CHEK1MAP3K8LRRK2GSK3BJAK2
SCHEMBL8847393 0.85 CHEK1 (0.51) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 US disclosed
US-8962626-B2 Thienopyridazine compounds, their preparations, pharmaceutical compositions and uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2015-02-24 US disclosed
US-8962626-B2 Thienopyridazine compounds, their preparations, pharmaceutical compositions and uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2015-02-24 US disclosed
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 US disclosed
EP-2241569-B1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES ZHEJIANG MED XINCHANG PHARM (CN) 2012-05-23 EP disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 US disclosed
US-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses WU, ZHANGGUI (CN) 2011-01-13 US disclosed
EP-2241569-A1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-10-20 EP 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-20110009415-A1 Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses CYP3A5, ABCC5, DPYD CHEK1 2344/4885MAP3K8 3469/4885LRRK2 4635/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885MAP3K8 115/4885LRRK2 91/4885

“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.