SCHEMBL12922010

SCHEMBL12922010

CN(C)C(=O)c1nnc(Cc2ccsc2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.38
MAP3K8 P41279 2/20 0.35
STK17B O94768 1/20 0.35
GSK3B P49841 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PDK1 Q15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 3/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 2/20 0.32

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
SCHEMBL14038901 0.91 JAK2 (0.37) MAP3K8GSK3BJAK2JAK1TYK2
SCHEMBL12922012 0.87 GAA (0.40) CHEK1MAP3K8STK17BJAK2JAK1
SCHEMBL8827896 0.87 CHEK1 (0.47) CHEK1MAP3K8STK17BALDH1A1MAPT
SCHEMBL12922031 0.85 MAPT (0.42) STK17BALDH1A1MAPTGAAMEN1
SCHEMBL12948528 0.84 CHEK1 (0.39) CHEK1MAP3K8STK17BGSK3BJAK2
SCHEMBL12922013 0.84 CHEK1 (0.39) CHEK1MAP3K8STK17BJAK2JAK1
SCHEMBL12922006 0.83 FLT1 (0.42) CHEK1GSK3BPDK1ALDH1A1MEN1
SCHEMBL13085878 0.81 NPC1 (0.36) CHEK1MAP3K8STK17BALDH1A1MAPT
SCHEMBL29012212 0.81 CHEK1 (0.40) CHEK1MAP3K8STK17BALDH1A1MAPT
SCHEMBL27768365 0.81 CHEK1 (0.35) CHEK1MAP3K8STK17BRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 3469/4885STK17B 2423/4885

“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.