SCHEMBL3920404

SCHEMBL3920404

CCNC(=O)Nc1nc2cc(-c3cnc(OC)nc3)ccn2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.54
PIK3CA P42336 6/20 0.54
TDP2 O95551 5/20 0.46
JAK1 P23458 1/20 0.44
AURKB Q96GD4 3/20 0.42
MAPK1 P28482 2/20 0.42
YES1 P07947 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
KDR P35968 1/20 0.41
ABL1 P00519 1/20 0.41
PIM1 P11309 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 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
SCHEMBL3916311 0.88 PIK3CG (0.53) PIK3CGPIK3CATDP2JAK1AURKB
SCHEMBL3920903 0.85 PIK3CG (0.49) PIK3CGPIK3CATDP2KDRPIK3CD
SCHEMBL3920193 0.82 PIK3CA (0.47) PIK3CGPIK3CATDP2PIK3CDPIK3CB
SCHEMBL3911294 0.80 TDP2 (0.62) PIK3CGPIK3CATDP2ABL1
SCHEMBL5264104 0.79 TDP2 (0.51) PIK3CGPIK3CATDP2PIK3CDPIK3CB
SCHEMBL4074400 0.79 MAPK1 (0.46) AURKBMAPK1YES1HIPK1ABL1
SCHEMBL3912369 0.76 ROCK2 (0.44) PIK3CGPIK3CATDP2PIK3CDPIK3CB
SCHEMBL31483064 0.71 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3921596 0.70 JAK1 (0.36) PIK3CGPIK3CAJAK1AURKBMAPK1
SCHEMBL4484215 0.69 MAPK1 (0.44) PIK3CAAURKBMAPK1YES1HIPK1

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-7524860-B2 Antibacterial agents PFIZER INC. (US) 2009-04-28 US disclosed
US-20080021059-A1 Antibacterial Agents PFIZER INC. (US) 2008-01-24 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-20080021059-A1 Antibacterial Agents CLPP, QDPR, CLSPN PIK3CG 1002/4885PIK3CA 1931/4885TDP2 1109/4885

“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.