SCHEMBL1623332

SCHEMBL1623332

c1ccc(-c2cc3[nH]ncc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.46
FGFR1 P11362 1/20 0.46
DYRK3 O43781 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
DYRK2 Q92630 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
EGFR P00533 1/20 0.41
FLT1 P17948 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL1622610 0.82 HDAC6 (0.44) METAP2FGFR1DYRK1ACLK4ROCK2
SCHEMBL27646466 0.73 APP (0.50) METAP2EGFRRAB9AKDM4EALDH1A1
SCHEMBL10100932 0.71 ESR1 (0.55) ESR1ESR2LMNARAB9ARXFP1
SCHEMBL13201333 0.68 GSK3B (0.58) FGFR1DYRK3CLK1CLK2CLK3
SCHEMBL10269114 0.68 FGFR1 (0.58) METAP2FGFR1DYRK3CLK1CLK2
SCHEMBL12562762 0.68 ESR1 (0.52) ESR1ESR2LMNARAB9ANPC1
SCHEMBL1105093 0.68 ESR1 (0.52) ESR1ESR2LMNARAB9ANPC1
SCHEMBL13299937 0.66 ESR1 (0.50) ESR1ESR2LMNARAB9APPARG
SCHEMBL2150417 0.66 ESR1 (0.66) ESR1ESR2LMNARXFP1KDM4E
SCHEMBL18049794 0.66 ESR1 (0.46) ESR1ESR2LMNARAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
CN-100398545-C Thienopyrazoles AVENTIS PHARMA INC (US) 2008-07-02 CN 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
CN-1849322-A Thienopyrazoles AVENTIS PHARMA INC (US) 2006-10-18 CN disclosed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 METAP2 1801/4885FGFR1 883/4885DYRK3 390/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 METAP2 2051/4885FGFR1 846/4885DYRK3 556/4885

“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.