SCHEMBL1622691

SCHEMBL1622691

OC1CCCN(CCCOc2ccc3[nH]c(-c4n[nH]c5ccsc45)cc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KDR P35968 5/20 0.43
AURKA O14965 3/20 0.43
LCK P06239 3/20 0.42
TXK P42681 3/20 0.42
SYK P43405 3/20 0.42
ITK Q08881 3/20 0.42
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
HTR1A P08908 1/20 0.39
CHEK1 O14757 1/20 0.39
CDK7 P50613 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LTA4H P09960 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
SCHEMBL1622655 0.95 KDR (0.47) HRH3HRH2HRH1KDRAURKA
SCHEMBL1623222 0.93 ITK (0.45) HRH3HRH2HRH1LCKTXK
SCHEMBL1622953 0.90 LCK (0.41) HRH3KDRAURKALCKTXK
SCHEMBL1623203 0.90 KDR (0.53) HRH3HRH2HRH1KDRAURKA
SCHEMBL1621731 0.88 LCK (0.48) HRH3HRH2HRH1KDRAURKA
SCHEMBL1620865 0.88 HRH3 (0.51) HRH3KDRAURKALCKTXK
SCHEMBL1621942 0.84 ITK (0.44) HRH3HRH1KDRLCKTXK
SCHEMBL1621132 0.83 LCK (0.50) HRH3HRH2HRH1KDRAURKA
SCHEMBL1621737 0.81 HRH3 (0.51) HRH3HRH1KDRAURKALCK
SCHEMBL1623698 0.78 ITK (0.50) HRH3HRH2HRH1KDRAURKA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP claimed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US claimed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US claimed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US claimed
JP-2007505038-A 2007-03-08 JP claimed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP claimed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO claimed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 HRH3 884/4885HRH2 547/4885HRH1 952/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 HRH3 986/4885HRH2 436/4885HRH1 838/4885

“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.