SCHEMBL8846947

SCHEMBL8846947

NC(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(Br)cc3)sc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.56
KCNH2 Q12809 5/20 0.42

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
SCHEMBL8847393 0.94 CHEK1 (0.51) CHEK1KCNH2
SCHEMBL27768326 0.91 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL29900038 0.91 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL29900120 0.91 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL4343133 0.91 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL8828193 0.91 CHEK1 (0.56) CHEK1KCNH2
Hydrochloric Acid SCHEMBL27747351 0.90 CHEK1 (0.67) CHEK1KCNH2
SCHEMBL1496066 0.87 CHEK1 (0.55) CHEK1KCNH2
SCHEMBL29900086 0.86 CHEK1 (0.56) CHEK1KCNH2
SCHEMBL4341670 0.86 CHEK1 (0.56) 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 13 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-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 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 disclosed
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
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
CN-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 CN 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
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 CN 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 2344/4885KCNH2 195/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885KCNH2 4153/4885

“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.