SCHEMBL3102304

SCHEMBL3102304

CN(C)Cc1ccc(C(=O)Nc2n[nH]c3sc(C(=O)O)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.50
KIT P10721 3/20 0.50
LRRK2 Q5S007 1/20 0.43
FOXO1 Q12778 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
DYRK1A Q13627 2/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 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
SCHEMBL3090928 0.90 FLT3 (0.42) FLT3KITLRRK2FOXO1HDAC3
SCHEMBL3093101 0.89 HDAC6 (0.46) FLT3KITHDAC1HDAC6P2RY14
SCHEMBL4633592 0.86 HDAC6 (0.40) FLT3KITHDAC3HDAC1HDAC6
SCHEMBL4633226 0.86 FLT3 (0.50) FLT3KITHDAC6DYRK1ACDC7
SCHEMBL4632670 0.85 FLT3 (0.51) FLT3KITLRRK2FOXO1HDAC3
SCHEMBL739669 0.85 ABL1 (0.53) FLT3KITLRRK2FOXO1HDAC3
SCHEMBL3090077 0.83 PRKD1 (0.39) FLT3KITHDAC1CTNNB1TCF7L2
SCHEMBL4633211 0.83 KIT (0.48) FLT3KITHDAC1HDAC6FGFR1
SCHEMBL3089944 0.83 FGFR1 (0.50) HDAC6DYRK1AMAP4K4CDK2CLK2
SCHEMBL3092925 0.82 HDAC1 (0.45) FLT3KITHDAC1CTNNB1TCF7L2

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 14 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-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 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
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
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 FLT3 9/4885KIT 907/4885LRRK2 1060/4885
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 FLT3 327/4885KIT 795/4885LRRK2 596/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 FLT3 329/4885KIT 795/4885LRRK2 589/4885

“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.