SCHEMBL8835672

SCHEMBL8835672

CN(C)C(=O)c1nnc(CC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.54
KCNH2 Q12809 2/20 0.40
CDK2AP1 O14519 2/20 0.39
ACP1 P24666 1/20 0.39

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
SCHEMBL8835231 0.95 CHEK1 (0.49) CHEK1KCNH2CDK2AP1
SCHEMBL27768326 0.89 CHEK1 (0.68) CHEK1KCNH2CDK2AP1
SCHEMBL4343133 0.89 CHEK1 (0.68) CHEK1KCNH2CDK2AP1
SCHEMBL29900038 0.89 CHEK1 (0.68) CHEK1KCNH2CDK2AP1
SCHEMBL29900120 0.89 CHEK1 (0.68) CHEK1KCNH2CDK2AP1
SCHEMBL12948509 0.89 CHEK1 (0.56) CHEK1CDK2AP1ACP1
Hydrochloric Acid SCHEMBL27747351 0.89 CHEK1 (0.67) CHEK1KCNH2CDK2AP1
SCHEMBL14997524 0.86 CHEK1 (0.41) CHEK1KCNH2CDK2AP1ACP1
SCHEMBL12921985 0.86 CHEK1 (0.42) CHEK1KCNH2
SCHEMBL8828298 0.85 CHEK1 (0.42) 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 4 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
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

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 2344/4885KCNH2 195/4885CDK2AP1 1807/4885

“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.