SCHEMBL13600040

SCHEMBL13600040

COc1ccccc1-c1n[nH]c2ncc(-c3ccnc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
ALDH1A1 P00352 1/20 0.40
FYN P06241 1/20 0.39
ABL1 P00519 1/20 0.39
MAP4K1 Q92918 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
TLR9 Q9NR96 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
CCNT1 O60563 5/20 0.38
CDK9 P50750 5/20 0.38
SYK P43405 1/20 0.38
SMYD2 Q9NRG4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 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
SCHEMBL3375525 0.89 FYN (0.44) FYNABL1MAP4K1PIK3CAMTOR
SCHEMBL12343068 0.88 ABL1 (0.50) DRD2ALDH1A1FYNABL1MAP4K1
SCHEMBL13042029 0.87 MAP4K1 (0.51) ALDH1A1ABL1MAP4K1PIK3CAMTOR
SCHEMBL12343167 0.87 PIK3CA (0.44) ALDH1A1ABL1MAP4K1PIK3CAMTOR
SCHEMBL12343195 0.86 NPC1 (0.51) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL12343246 0.85 FYN (0.44) DRD2FYNABL1TLR7PIK3CA
SCHEMBL3490188 0.84 PIK3CA (0.42) ALDH1A1ABL1MAP4K1PIK3CAMTOR
SCHEMBL12343359 0.84 MELK (0.44) ALDH1A1MAP4K1PIK3CAMTOR
SCHEMBL12344582 0.84 PIK3CA (0.41) ALDH1A1ABL1MAP4K1PIK3CAMTOR
SCHEMBL12343203 0.82 LMNA (0.40) DRD2ALDH1A1ABL1MAP4K1PIK3CA

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 DRD2 4099/4885ALDH1A1 4383/4885FYN 372/4885

“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.