SCHEMBL8835231

SCHEMBL8835231

CN(C)C(=O)c1nnc(CC2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.49
MCHR1 Q99705 1/20 0.40
KCNH2 Q12809 1/20 0.35
IDH1 O75874 1/20 0.35
CDK2AP1 O14519 1/20 0.35

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
SCHEMBL8835672 0.95 CHEK1 (0.54) CHEK1KCNH2CDK2AP1
SCHEMBL14997524 0.92 CHEK1 (0.41) CHEK1KCNH2CDK2AP1
SCHEMBL8831254 0.89 CHEK1 (0.62) CHEK1CDK2AP1
SCHEMBL27768305 0.89 CHEK1 (0.62) CHEK1CDK2AP1
SCHEMBL8832033 0.88 CHEK1 (0.51) CHEK1MCHR1CDK2AP1
Hydrochloric Acid SCHEMBL27768311 0.88 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL8833455 0.86 CHEK1 (0.42) CHEK1MCHR1
SCHEMBL8832451 0.85 MCHR1 (0.42) CHEK1MCHR1IDH1
SCHEMBL12921985 0.84 CHEK1 (0.42) CHEK1MCHR1KCNH2
SCHEMBL4343133 0.84 CHEK1 (0.68) CHEK1KCNH2CDK2AP1

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 6 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
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 (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 2344/4885MCHR1 4474/4885KCNH2 195/4885

“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.