SCHEMBL3513470

SCHEMBL3513470

COc1cc(-c2cnc3[nH]ccc3c2)c(-n2ccnc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
NUDT1 P36639 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
FEN1 P39748 3/20 0.42
ALOX5AP P20292 2/20 0.42
CDK8 P49336 2/20 0.41
AXL P30530 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
MAP3K11 Q16584 2/20 0.40
CGAS Q8N884 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL18171690 0.77 PDE10A (0.47) CYP19A1CYP11B1CYP11B2MAP3K11CGAS
SCHEMBL31107378 0.72 BRD4 (0.74) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL858100 0.72 BRD4 (0.74) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13854160 0.71 BRD4 (0.61) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14365345 0.71 BRD4 (0.61) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18171689 0.71 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2CGASKDM4E
SCHEMBL13854453 0.70 BRD4 (0.60) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30580377 0.70 BRD4 (0.60) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL720887 0.69 BRD4 (1.00) BRD4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14390405 0.68 BRD4 (0.56) BRD4PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A BRD4 988/4885PIK3CD 12/4885PIK3CA 10/4885

“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.