SCHEMBL4633253

SCHEMBL4633253

O=C(Nc1n[nH]c2sc(C(=O)O)cc12)c1ccc(Cn2cccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SNCA P37840 2/20 0.45
TNIK Q9UKE5 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
CDC7 O00311 7/20 0.42
DAPK3 O43293 6/20 0.42
PAK4 O96013 6/20 0.42
FLT3 P36888 6/20 0.42
CLK2 P49760 6/20 0.42

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
SCHEMBL4632607 0.87 HDAC1 (0.49) HDAC1HDAC6SNCATNIKMAPT
SCHEMBL741197 0.86 ABL1 (0.55) HDAC1HDAC6SNCATNIKMAPT
SCHEMBL4633615 0.83 TBXAS1 (0.50) SNCATNIKNPC1
SCHEMBL3104562 0.82 ABL1 (0.52) HDAC1HDAC6MAPTRAB9AKDM4E
SCHEMBL3085794 0.82 ABL1 (0.50) HDAC1HDAC6TNIKMAPTRAB9A
SCHEMBL3106720 0.81 ABL1 (0.53) HDAC1HDAC6MAPTRAB9AKDM4E
SCHEMBL3085713 0.81 ABL1 (0.53) HDAC1HDAC6MAPTRAB9AKDM4E
SCHEMBL4633592 0.81 HDAC6 (0.40) HDAC1HDAC6TNIKFLT3AURKA
SCHEMBL3089944 0.80 FGFR1 (0.50) HDAC6NPC1RAB9AHTTLMNA
SCHEMBL3102260 0.80 KDR (0.53) HDAC1HDAC6FLT3AURKAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP 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-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP 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 (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-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 HDAC1 801/4885HDAC6 978/4885SNCA 3497/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 HDAC1 786/4885HDAC6 975/4885SNCA 3485/4885

“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.