SCHEMBL4193161

SCHEMBL4193161

OC1CCN(c2ncnc3ccsc23)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.58
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
ADRB3 P13945 3/20 0.48
KIT P10721 2/20 0.46
PDE4D Q08499 3/20 0.44
PRKCI P41743 1/20 0.42
PIK3CD O00329 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SYK P43405 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL13802259 0.83 PRKCI (0.59) HTR2CADRB2ADRB1ADRB3KIT
Hydrochloric Acid SCHEMBL4182980 0.82 PRKCI (0.58) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL13034670 0.80 HTR2C (0.65) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL31337089 0.80 HTR2C (0.65) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL4193100 0.80 HTR2C (0.65) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL12988760 0.77 HTR2C (0.60) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL23579666 0.76 ADRB2 (0.57) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL13689935 0.75 HTR2C (0.51) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL1601717 0.75 HTR2C (0.70) HTR2CADRB2ADRB1ADRB3KIT
SCHEMBL28057522 0.75 HTR2C (0.70) HTR2CADRB2ADRB1ADRB3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
EP-1899355-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1893215-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006135630-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135639-A1 THIΞNOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (4 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-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 HTR2C 3229/4885ADRB2 3551/4885ADRB1 3249/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 HTR2C 3229/4885ADRB2 3551/4885ADRB1 3249/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 HTR2C 3229/4885ADRB2 3551/4885ADRB1 3249/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 HTR2C 4701/4885ADRB2 4517/4885ADRB1 4232/4885

“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.