SCHEMBL13600053

SCHEMBL13600053

COc1ccccc1-c1n[nH]c2ncc(-c3cncc(C(=O)N4CCOCC4)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
KIT P10721 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
JAK2 O60674 3/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
NTRK1 P04629 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
PLK4 O00444 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 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
SCHEMBL12343078 0.94 ABL1 (0.44) ABL1KITNPC1RAB9ATDP1
SCHEMBL3374236 0.92 ABL1 (0.51) ABL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12342842 0.92 JAK2 (0.55) KITNPC1RAB9ATDP1JAK2
SCHEMBL12343283 0.91 JAK2 (0.50) ABL1KITNPC1RAB9ATDP1
SCHEMBL12343067 0.90 ABL1 (0.49) ABL1ALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL12344701 0.88 ABL1 (0.50) ABL1KITNPC1RAB9ATDP1
SCHEMBL12343073 0.88 ABL1 (0.47) ABL1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL12343149 0.87 NPC1 (0.52) KITNPC1RAB9ATDP1JAK2
SCHEMBL12343254 0.87 CLK4 (0.50) ABL1KITRAB9ATDP1JAK2
SCHEMBL3372416 0.86 KIT (0.49) KITNPC1RAB9ATDP1JAK2

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
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 (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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 ABL1 141/4885KIT 819/4885NPC1 3721/4885

“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.