SCHEMBL981337

SCHEMBL981337

CC(C)(C)OC(=O)N1CCC(Cc2nnc(C(N)=O)c3sc(-c4ccc(Cl)cc4)cc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
NR1D1 P20393 2/20 0.41
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
ACKR3 P25106 1/20 0.38
CNR1 P21554 4/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNG1 Q06432 1/20 0.38
CACNB2 Q08289 1/20 0.38

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
SCHEMBL981586 0.95 CHEK1 (0.45) CHEK1NR1D1ALOX5APFEN1ACKR3
SCHEMBL982318 0.95 CHEK1 (0.46) CHEK1CNR1CACNB4CACNA1ACACNA1G
SCHEMBL13615283 0.90 ALDH1A1 (0.43) NR1D1ALOX5APFEN1ACKR3CNR1
SCHEMBL13615327 0.89 ACKR3 (0.41) CHEK1ALOX5APFEN1ACKR3CNR1
SCHEMBL13085848 0.86 CHEK1 (0.50) CHEK1
SCHEMBL4342898 0.86 ACKR3 (0.42) CHEK1ALOX5APFEN1ACKR3CNR1
SCHEMBL12948514 0.85 ALDH1A1 (0.46) CNR1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL16518699 0.85 CHEK1 (0.51) CHEK1
SCHEMBL1496097 0.85 ACKR3 (0.46) CHEK1ALOX5APFEN1ACKR3FNTA
SCHEMBL2775244 0.84 CNR1 (0.44) NR1D1ALOX5APFEN1ACKR3CNR1

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-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
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
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 2344/4885NR1D1 1364/4885ALOX5AP 208/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 CHEK1 2/4885NR1D1 3136/4885ALOX5AP 4579/4885

“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.