SCHEMBL981586

SCHEMBL981586

CC(C)(C)OC(=O)N1CCCC(Cc2nnc(C(N)=O)c3sc(-c4ccc(Cl)cc4)cc23)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.45
ACKR3 P25106 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CHEK2 O96017 2/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GLS O94925 2/20 0.39
FEN1 P39748 2/20 0.39
ALOX5AP P20292 1/20 0.39
IRAK1 P51617 1/20 0.39
BCHE P06276 1/20 0.37
HTR6 P50406 1/20 0.37
NR1D1 P20393 1/20 0.37
BACE1 P56817 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
CTSD P07339 1/20 0.37
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37

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
SCHEMBL981337 0.95 CHEK1 (0.44) CHEK1ACKR3FNTAFNTBCHEK2
SCHEMBL13615327 0.94 ACKR3 (0.41) CHEK1ACKR3FNTAFNTBCHEK2
SCHEMBL982318 0.91 CHEK1 (0.46) CHEK1FNTAFNTBCHEK2CNR1
SCHEMBL4342898 0.90 ACKR3 (0.42) CHEK1ACKR3FNTAFNTBCHEK2
SCHEMBL1496097 0.89 ACKR3 (0.46) CHEK1ACKR3FNTAFNTBCHEK2
SCHEMBL13615283 0.85 ALDH1A1 (0.43) ACKR3FNTAFNTBCNR1CNR2
SCHEMBL12948547 0.85 CHEK1 (0.51) CHEK1
SCHEMBL4355506 0.84 ACKR3 (0.40) ACKR3FNTAFNTBCHEK2CNR1
SCHEMBL982003 0.84 CHEK1 (0.46) CHEK1CHEK2FEN1ALOX5AP
SCHEMBL13085848 0.83 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 8 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
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
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 2344/4885ACKR3 950/4885FNTA 1645/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 CHEK1 2/4885ACKR3 3285/4885FNTA 1917/4885

“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.