SCHEMBL3979845

SCHEMBL3979845

Nc1ncnc2sncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 7/20 0.48
KDR P35968 5/20 0.48
RET P07949 4/20 0.48
LRRK2 Q5S007 3/20 0.48
DAPK3 O43293 3/20 0.48
MAP4K4 O95819 3/20 0.48
PRKACA P17612 3/20 0.48
CSNK1A1 P48729 3/20 0.48
CLK2 P49760 3/20 0.48
GSK3A P49840 3/20 0.48
GSK3B P49841 3/20 0.48
RPS6KA3 P51812 3/20 0.48
CDK5 Q00535 3/20 0.48
MAP4K2 Q12851 3/20 0.48
ROCK1 Q13464 3/20 0.48
DYRK1A Q13627 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
AURKA O14965 2/20 0.48
PIM1 P11309 2/20 0.48
AURKB Q96GD4 2/20 0.48

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
SCHEMBL19131406 0.69
SCHEMBL6585704 0.68 NCF1 (0.41) LIMK1KDRRETLRRK2DAPK3
SCHEMBL31026187 0.67 EGFR (0.49) LIMK1KDRRETLRRK2DAPK3
SCHEMBL6461918 0.67 EGFR (0.49) LIMK1KDRRETLRRK2DAPK3
SCHEMBL29365779 0.65 DYRK1A (1.00) LIMK1KDRRETLRRK2DAPK3
SCHEMBL4317878 0.64 LIMK1 (0.47) LIMK1KDRRETLRRK2DAPK3
SCHEMBL627653 0.64 NOS3 (0.41) LIMK1KDRRETLRRK2DAPK3
SCHEMBL29420250 0.63 MAPK1 (0.47) LIMK1KDRRETLRRK2DAPK3
SCHEMBL29919764 0.59 PI4KA (0.48) LIMK1KDRRETLRRK2DAPK3
SCHEMBL5426668 0.59 SELE (0.65) KDM4EMEN1ALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 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 (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-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors IGF1R, BRCA1, MAP2K6 LIMK1 913/4885KDR 2130/4885RET 1252/4885

“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.