SCHEMBL12922016

SCHEMBL12922016

CCOC(=O)c1nnc(CC2CCCCC2)c2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.42
MAPT P10636 5/20 0.41
TARBP2 Q15633 1/20 0.39
FAAH O00519 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
CYP19A1 P11511 2/20 0.37
ALPL P05186 1/20 0.36

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
SCHEMBL12922038 0.99 CHEK1 (0.43) CHEK1MAPTTARBP2FAAHTRPM8
SCHEMBL12922028 0.92 MAPT (0.35) CHEK1MAPTFAAHTRPM8GAA
SCHEMBL14997854 0.91 CHEK1 (0.45) CHEK1MAPTTARBP2TRPM8GAA
SCHEMBL4344877 0.90 CHEK1 (0.40) CHEK1MAPTTARBP2TRPM8GAA
SCHEMBL12922030 0.90 CHEK1 (0.39) CHEK1MAPTTARBP2FAAHTRPM8
SCHEMBL12922024 0.89 MAPT (0.39) CHEK1MAPTTARBP2TRPM8GAA
SCHEMBL12922036 0.88 MAPT (0.38) CHEK1MAPTTARBP2TRPM8GAA
SCHEMBL14997757 0.87 CHEK1 (0.49) CHEK1MAPTTARBP2TRPM8GAA
SCHEMBL16560411 0.86 TRPM8 (0.42) CHEK1MAPTTRPM8GAA
SCHEMBL12922015 0.85 CHEK1 (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 2344/4885MAPT 3938/4885TARBP2 3183/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 CHEK1 2/4885MAPT 2544/4885TARBP2 2942/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885MAPT 2544/4885TARBP2 2942/4885

“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.