SCHEMBL11032175

SCHEMBL11032175

Nc1nc2cccnn2c1-c1ccn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.45
MTOR P42345 7/20 0.45
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
COMT P21964 3/20 0.38
SCN4A P35499 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
AURKA O14965 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
AURKB Q96GD4 1/20 0.36
JAK2 O60674 1/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
IDO1 P14902 1/20 0.33
NPC1 O15118 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
SCHEMBL750082 0.72 PIK3CA (0.37) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL11026169 0.71 PIK3CA (0.37) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL17121438 0.68 PDE4A (0.48) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL15308512 0.68 PDE4A (0.41) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL22858643 0.65 PDE4A (0.44) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL15306525 0.65 PDE4A (0.35) PIK3CAMTORPDE4APDE4BPDE4C
SCHEMBL22631223 0.64 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL11883456 0.62 PTGS1 (0.36) PDE4APDE4BPDE4CPDE4DAKT1
SCHEMBL30385065 0.62 HTR2C (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL21863419 0.61 PDE4A (0.41) PIK3CAMTORPDE4APDE4BPDE4C

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 PIK3CA 1/4885MTOR 21/4885PDE4A 2195/4885

“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.