SCHEMBL8835387

SCHEMBL8835387

NC(=O)c1nnc(Cc2cc[nH]c2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.49
IKBKB O14920 2/20 0.38
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP3K8 P41279 2/20 0.34
STK17B O94768 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
SCHEMBL12948558 0.90 CHEK1 (0.39) CHEK1IKBKBKDM4EMEN1MAPT
SCHEMBL8830823 0.90 CHEK1 (0.39) CHEK1KDM4EMEN1MAPTRAB9A
SCHEMBL12948533 0.88 CHEK1 (0.40) CHEK1KDM4EMEN1ALDH1A1GAA
SCHEMBL12948528 0.87 CHEK1 (0.39) CHEK1PDE1APDE1BPDE4DPDE7A
SCHEMBL12948560 0.86 MAPT (0.41) CHEK1MEN1ALDH1A1GAAMAPT
SCHEMBL12922001 0.85 CHEK1 (0.48) CHEK1IKBKBMAP3K8STK17B
SCHEMBL8827896 0.83 CHEK1 (0.47) CHEK1IKBKBKDM4EMEN1ALDH1A1
SCHEMBL13085883 0.82 CHEK1 (0.34) CHEK1PDE1APDE1BPDE4DPDE7A
SCHEMBL8832143 0.82 CHEK1 (0.49) CHEK1IKBKBKDM4EMEN1ALDH1A1
SCHEMBL8827320 0.82 CHEK1 (0.49) CHEK1IKBKBKDM4EMEN1ALDH1A1

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-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
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-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 US disclosed
US-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 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
EP-2241569-A1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-10-20 EP disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 US 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 (3 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 2344/4885IKBKB 2148/4885PDE1A 3872/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 CHEK1 2/4885IKBKB 704/4885PDE1A 2163/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885IKBKB 704/4885PDE1A 2163/4885

“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.