SCHEMBL5211447

SCHEMBL5211447

COc1cc(CNc2cncc(Cl)n2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
DHFR P00374 1/20 0.40
CLK4 Q9HAZ1 5/20 0.40
ABCB1 P08183 1/20 0.40
IGF1R P08069 1/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PDGFRB P09619 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
SCHEMBL14394157 0.92 CLK4 (0.37) AURKARPS6KB1AURKBDHFRCLK4
SCHEMBL5416533 0.85 CLK4 (0.52) CLK4DYRK1AMAPTMEN1KMT2A
SCHEMBL20814215 0.74 MAPT (0.47) DHFRLMNAALDH1A1TSHRCYP1A2
SCHEMBL3143358 0.74 CDK2 (0.57) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5207658 0.74 CLK4 (0.51) RPS6KB1AURKBCLK4DYRK1AALDH1A1
SCHEMBL6283187 0.73 MAP4K4 (0.48) MEN1KMT2A
SCHEMBL3266578 0.73 ENPP2 (0.41) ABCB1CYP1A1CYP1B1
SCHEMBL5209249 0.73 FYN (0.61)
SCHEMBL22792194 0.72 TSHR (0.50) CLK4ABCB1LMNAALDH1A1TSHR
SCHEMBL3140863 0.72 KDM4E (0.58) ALDH1A1MEN1KMT2A

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 4 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
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
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

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 AURKA 146/4885RPS6KB1 712/4885AURKB 241/4885
US-20060148824-A1 Protein kinase inhibitors MAP3K20, MAP4K2, MAP3K1 AURKA 273/4885RPS6KB1 240/4885AURKB 358/4885

“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.