SCHEMBL4294342

SCHEMBL4294342

Nc1cncc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.64
PIK3CD O00329 1/20 0.64
PIK3CB P42338 1/20 0.64
PIK3CG P48736 1/20 0.64
CDK8 P49336 8/20 0.61
AXL P30530 2/20 0.61
RIPK1 Q13546 4/20 0.58
CDK7 P50613 2/20 0.52
CCNT1 O60563 1/20 0.52
CCND1 P24385 1/20 0.52
CCNC P24863 1/20 0.52
CDK9 P50750 1/20 0.52
CCNH P51946 1/20 0.52
MNAT1 P51948 1/20 0.52
CDK6 Q00534 1/20 0.52
NTRK1 P04629 2/20 0.51
PLK4 O00444 2/20 0.51
ROCK2 O75116 2/20 0.51
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51

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
SCHEMBL4831501 0.84 CDK8 (0.81) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL12127266 0.83 RIPK1 (0.71) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL857125 0.83 CDK8 (0.69) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL415099 0.81 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL29502620 0.81 CDK8 (0.55) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL926536 0.81 CDK8 (0.55) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
Hydrochloric Acid SCHEMBL28300266 0.79 CDK8 (0.53) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL13576332 0.78 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL416750 0.78 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGCDK8
SCHEMBL411814 0.77 CDK8 (0.71) PIK3CAPIK3CDPIK3CBPIK3CGCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US disclosed
CN-101448827-A Indole derivatives ASTRAZENECA AB (SE) 2009-06-03 CN 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-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 PIK3CA 27/4885PIK3CD 17/4885PIK3CB 34/4885

“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.