SCHEMBL2437004

SCHEMBL2437004

O=C(Nc1n[nH]c2sc(C(=O)O)cc12)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.55
KDR P35968 2/20 0.50
KIT P10721 2/20 0.50
FGFR1 P11362 2/20 0.50
FLT3 P36888 1/20 0.50
NTRK1 P04629 2/20 0.49
CDC7 O00311 1/20 0.49
CHEK1 O14757 1/20 0.49
JAK2 O60674 1/20 0.49
PAK4 O96013 1/20 0.49
PRKCB P05771 1/20 0.49
INSR P06213 1/20 0.49
RET P07949 1/20 0.49
PRKACA P17612 1/20 0.49
FLT4 P35916 1/20 0.49
JAK3 P52333 1/20 0.49
PDK1 Q15118 1/20 0.49
AURKB Q96GD4 1/20 0.49
STK26 Q9P289 1/20 0.49
AURKC Q9UQB9 1/20 0.49

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
SCHEMBL4632667 0.90 KMO (0.51) AURKAKDRKITFGFR1FLT3
SCHEMBL741230 0.89 AURKA (0.59) AURKAKDRKITFGFR1FLT3
Hydrochloric Acid SCHEMBL740993 0.88 AURKA (0.58) AURKAKDRKITFGFR1FLT3
SCHEMBL4632686 0.88 AURKA (0.47) AURKAKDRKITFGFR1FLT3
SCHEMBL4631760 0.88 HDAC10 (0.47) AURKAKITFGFR1FLT3
SCHEMBL3102293 0.86 HIF1A (0.53) AURKAFLT3
SCHEMBL742991 0.86 AURKA (0.76) AURKAKDRKITFGFR1FLT3
SCHEMBL4632688 0.86 AURKA (0.51) AURKAKDRKITFGFR1FLT3
SCHEMBL742597 0.85 AURKA (0.53) AURKAKDRKITFGFR1FLT3
SCHEMBL739487 0.85 AURKA (0.78) AURKAKDRKITFGFR1FLT3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803829-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-28 US claimed
US-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 US claimed
EP-2007380-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-31 EP claimed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed
WO-2007113198-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-11 WO claimed
EP-1711177-A1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS Pfizer Italia S.r.l. (IT) 2006-10-18 EP claimed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US claimed
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 WO claimed
US-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US disclosed
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP disclosed
US-7803829-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-28 US disclosed
US-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 US disclosed
EP-2007380-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-31 EP disclosed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
WO-2007113198-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-11 WO disclosed
EP-1711177-A1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS Pfizer Italia S.r.l. (IT) 2006-10-18 EP disclosed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US disclosed
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 WO 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-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS ABL1, ABL2, LTK AURKA 257/4885KDR 739/4885KIT 907/4885
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 AURKA 349/4885KDR 1029/4885KIT 795/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AURKA 340/4885KDR 1040/4885KIT 795/4885

“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.