SCHEMBL26072121

SCHEMBL26072121

NCCCNC(=O)c1cn2cc(Br)nc(N3CCOCC3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
MTOR P42345 4/20 0.54
PIK3R1 P27986 8/20 0.49
PIK3CD O00329 5/20 0.49
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL26072386 0.94 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL30366721 0.82 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDALDH1A1
SCHEMBL5560237 0.80 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDLMNA
SCHEMBL26072359 0.79 PIK3CA (0.50) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL10092229 0.78 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CD
Lithium Ion SCHEMBL30366465 0.77 PIK3CA (0.48) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL26072211 0.74 PIK3CA (0.44) PIK3CAMTORPIK3R1ALDH1A1GLA
SCHEMBL26072083 0.74 PIK3CA (0.47) PIK3CAMTORPIK3R1PIK3CDALDH1A1
SCHEMBL30366717 0.73 PIK3CA (0.44) PIK3CAMTORPIK3R1PIK3CD
SCHEMBL13896920 0.73 PIK3CA (0.45) PIK3CAMTORPIK3R1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 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-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT PIK3CA 574/4885MTOR 679/4885PIK3R1 444/4885

“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.