SCHEMBL12344667

SCHEMBL12344667

CN(C)C(=O)c1cc(-c2cnc3[nH]nc(Cc4cccc(F)c4)c3c2)ccc1NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
NTRK1 P04629 1/20 0.41
PARP1 P09874 8/20 0.39
PRMT6 Q96LA8 1/20 0.39
PLK4 O00444 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
PIK3CA P42336 2/20 0.38
AOC3 Q16853 1/20 0.38
SRC P12931 1/20 0.38
GRIA1 P42261 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL12344640 0.94 HDAC3 (0.39) CLK2CLK3DYRK1ANTRK1PARP1
SCHEMBL12344670 0.92 NTRK1 (0.40) NTRK1PARP1PRMT6HSP90AA1HSP90AB1
SCHEMBL13600201 0.79 ALDH1A1 (0.39) DYRK1ANTRK1PRMT6AOC3
SCHEMBL12343709 0.77 MAP4K1 (0.49)
SCHEMBL12344668 0.76 KDM4E (0.36) NTRK1PRMT6AOC3
SCHEMBL3488948 0.74 KDM4E (0.35) NTRK1PRMT6AOC3
SCHEMBL13342174 0.72 MAP4K1 (0.66) NTRK1PIK3CAIGF1R
SCHEMBL3488624 0.72 MAP4K1 (0.56) HSP90AA1HSP90AB1
SCHEMBL3488620 0.71 MAP4K1 (0.45) HSP90AA1HSP90AB1
SCHEMBL13342406 0.70 MAP4K1 (0.40) NTRK1PIK3CAIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 CLK2 110/4885CLK3 338/4885DYRK1A 390/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 CLK2 110/4885CLK3 338/4885DYRK1A 390/4885

“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.