SCHEMBL982003

SCHEMBL982003

CC(C)(C)OC(=O)N1CCCCC1Cc1nnc(C(N)=O)c2sc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.46
CHEK2 O96017 1/20 0.40
AHCY P23526 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE8B O95263 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
USP30 Q70CQ3 2/20 0.36
UCHL1 P09936 1/20 0.35
POLB P06746 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
APP P05067 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
Hydrochloric Acid SCHEMBL27768333 0.99 CHEK1 (0.45) CHEK1CHEK2AHCYALDH1A1PDE8B
SCHEMBL12922035 0.90 AHCY (0.40) CHEK1CHEK2AHCYALDH1A1MEN1
SCHEMBL14997867 0.85 CHEK1 (0.54) CHEK1
SCHEMBL982318 0.85 CHEK1 (0.46) CHEK1CHEK2MEN1KMT2ANPSR1
SCHEMBL981586 0.84 CHEK1 (0.45) CHEK1CHEK2ALOX5APFEN1
SCHEMBL981337 0.83 CHEK1 (0.44) CHEK1CHEK2ALOX5APFEN1
SCHEMBL12922023 0.79 CHEK1 (0.57) CHEK1ALDH1A1MEN1MAPTTSHR
SCHEMBL12922015 0.79 CHEK1 (0.56) CHEK1MEN1TSHRHTTKMT2A
SCHEMBL14997873 0.77 CHEK1 (0.52) CHEK1
SCHEMBL13085848 0.77 CHEK1 (0.50) 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 13 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-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
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
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
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
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 (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 2344/4885CHEK2 2274/4885AHCY 1960/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 CHEK1 2/4885CHEK2 1/4885AHCY 2316/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 CHEK1 2/4885CHEK2 1/4885AHCY 2316/4885

“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.