SCHEMBL750082

SCHEMBL750082

Nc1nc2cccnn2c1-c1cc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PDE4A P27815 9/20 0.32
PDE4B Q07343 10/20 0.32
PDE4D Q08499 9/20 0.32
PDE4C Q08493 8/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
USP7 Q93009 2/20 0.31
DYRK1A Q13627 1/20 0.30
RIPK3 Q9Y572 1/20 0.30

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
SCHEMBL11026169 0.76 PIK3CA (0.37) PIK3CAMTORAKT1AKT2PDE4A
SCHEMBL752298 0.75 USP7 (0.52) PIK3CAMTORCCNE1CDK2USP7
SCHEMBL11032175 0.72 PIK3CA (0.45) PIK3CAMTORAKT1AKT2PDE4A
SCHEMBL755266 0.69 USP7 (0.38) AKT1AKT2USP7
SCHEMBL17121438 0.67 PDE4A (0.48) PIK3CAMTORAKT1AKT2PDE4A
SCHEMBL15308512 0.67 PDE4A (0.41) PIK3CAMTORAKT1AKT2PDE4A
SCHEMBL1673128 0.64
SCHEMBL22858643 0.64 PDE4A (0.44) PIK3CAMTORPDE4APDE4BPDE4D
SCHEMBL15306525 0.64 PDE4A (0.35) PIK3CAMTORAKT1AKT2PDE4A
SCHEMBL4240536 0.63 MAP4K4 (0.43) AKT1AKT2CDK2

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
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP 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 21/4885AKT1 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.