SCHEMBL4267300

SCHEMBL4267300

Nc1nc(N)c2c(-c3ccc4ncsc4c3)nn(-c3ccc4ncsc4c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
TGFBR1 P36897 12/20 0.41
MTOR P42345 4/20 0.39
RICTOR Q6R327 4/20 0.39
RPTOR Q8N122 4/20 0.39
MAPKAP1 Q9BPZ7 4/20 0.39
MLST8 Q9BVC4 4/20 0.39
PIK3CA P42336 1/20 0.39
BMPR1A P36894 1/20 0.36
SMAD2 Q15796 1/20 0.36
VRK1 Q99986 1/20 0.36

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
SCHEMBL4265699 0.70 PIK3CD (0.52) TGFBR1MTORPIK3CA
SCHEMBL4267729 0.70 KDR (0.53) DYRK1ATGFBR1MTORPIK3CA
SCHEMBL7997101 0.69 SRC (0.69) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL4264882 0.67 EGFR (0.48) MTORPIK3CA
Hydrochloric Acid SCHEMBL4532456 0.66 DYRK1A (0.54) DYRK1ATGFBR1BMPR1ASMAD2VRK1
SCHEMBL20600762 0.66 DYRK1A (0.50) DYRK1ATGFBR1BMPR1ASMAD2VRK1
SCHEMBL30945399 0.66 DYRK1A (0.56) DYRK1ATGFBR1BMPR1ASMAD2VRK1
SCHEMBL29754568 0.66 DYRK1A (0.56) DYRK1ATGFBR1BMPR1ASMAD2VRK1
SCHEMBL4269315 0.65 SRC (0.52) MTORPIK3CA
SCHEMBL31214345 0.65 DYRK1A (0.72) DYRK1ATGFBR1MTORPIK3CABMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US claimed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 WO claimed
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 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 (1 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-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS DCK, CDK2, DTYMK DYRK1A 1042/4885TGFBR1 3133/4885MTOR 266/4885

“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.