SCHEMBL5207658

SCHEMBL5207658

Clc1cncc(NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 9/20 0.51
DYRK1A Q13627 6/20 0.51
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CLK2 P49760 3/20 0.44
CHEK1 O14757 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MAPK1 P28482 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKX P51817 1/20 0.44

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
SCHEMBL6283187 0.80 MAP4K4 (0.48) MAP4K4HRH4CDK2
SCHEMBL3140863 0.79 KDM4E (0.58) ALDH1A1KDM4ECDK2
SCHEMBL3143358 0.79 CDK2 (0.57) ALDH1A1MAPK1KDM4EBRAFCDK2
SCHEMBL5176326 0.79 KDM4E (0.42) ALDH1A1GAAKDM4EBRAFCDK2
SCHEMBL1192525 0.78 BRAF (0.53) BRAF
SCHEMBL29933870 0.78 FYN (0.59) MAP4K4CDK2
SCHEMBL28884642 0.78 FYN (0.59) MAP4K4CDK2
SCHEMBL5416533 0.77 CLK4 (0.52) CLK4DYRK1ACLK2CLK1DYRK1B
SCHEMBL6658629 0.76 MAPT (0.49) ALDH1A1GAAKDM4E
SCHEMBL1678795 0.75 LTA4H (0.53) CLK4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513821-B1 PROTEIN KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 EP disclosed
EP-1513821-B1 PROTEIN KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 EP disclosed
US-7122550-B2 Protein kinase inhibitors CYTOPIA PTY LTD (AU) 2006-10-17 US disclosed
US-20060148824-A1 Protein kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2006-07-06 US disclosed
EP-1513821-A4 PROTEIN KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2006-05-03 EP disclosed
EP-1513821-A1 PROTEIN KINASE INHIBITORS Cytopia PTY Ltd (AU) 2005-03-16 EP disclosed
US-20040235862-A1 For therapy of atopy, a cell mediated hypersensitivity, a rheumatic disease, an autoimmune disease, a viral disease, and a cancer YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2004-11-25 US disclosed
WO-2003099796-A1 PROTEIN KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2003-12-04 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-20040235862-A1 For therapy of atopy, a cell mediated hypersensitivity, a rheumatic disease, an autoimmune disease, a viral disease, and a cancer LCK, IRAK1, MAP2K5 CLK4 293/4885DYRK1A 735/4885TSHR 4070/4885
US-20060148824-A1 Protein kinase inhibitors MAP3K20, MAP4K2, MAP3K1 CLK4 242/4885DYRK1A 364/4885TSHR 2859/4885

“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.