SCHEMBL11043630

SCHEMBL11043630

Nc1cn2nc(-c3cncnc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.45
PIK3CA P42336 5/20 0.42
AKT1 P31749 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 5/20 0.41
PIK3CD O00329 2/20 0.36
PIK3CB P42338 1/20 0.36
KDR P35968 1/20 0.34
ATM Q13315 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL3236368 0.83 FYN (0.51) DYRK1APIK3CAAKT1MTORPIK3CG
SCHEMBL18134782 0.82 DYRK1A (0.67) DYRK1APIK3CAAKT1MTORPIK3CG
SCHEMBL3263422 0.81 DYRK1A (0.49) DYRK1APIK3CAAKT1MTORPIK3CG
SCHEMBL754222 0.81 DYRK1A (0.45) DYRK1APIK3CAAKT1MTORPIK3CG
SCHEMBL798566 0.78 PIK3CG (0.50) DYRK1APIK3CAAKT1MTORPIK3CG
SCHEMBL3264279 0.74 ALDH1A3 (0.49) DYRK1APIK3CAPIK3CGPIK3CD
SCHEMBL12673618 0.73 FYN (0.51)
SCHEMBL12909569 0.72 PIK3CG (0.59) DYRK1APIK3CAMTORPIK3CGPIK3CD
Hydrochloric Acid SCHEMBL938808 0.71 PIK3CG (0.58) DYRK1APIK3CAMTORPIK3CGPIK3CD
SCHEMBL3232733 0.71 BRD4 (0.53) PIK3CAPIK3CGPIK3CDPIK3CB

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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD DYRK1A 1062/4885PIK3CA 1/4885AKT1 30/4885

“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.