SCHEMBL29564396

SCHEMBL29564396

Nc1nccc(-c2nc(N3CCNCC3)nc(N3CCOCC3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.52
MTOR P42345 12/20 0.52
PIK3R1 P27986 10/20 0.52
HRH3 Q9Y5N1 1/20 0.51
POLB P06746 1/20 0.51
PIK3CD O00329 3/20 0.50
PIK3CB P42338 3/20 0.50
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
RICTOR Q6R327 2/20 0.47
RPTOR Q8N122 2/20 0.47
MAPKAP1 Q9BPZ7 2/20 0.47
MLST8 Q9BVC4 2/20 0.47
PIK3CG P48736 2/20 0.46
PIK3C2B O00750 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
PKM P14618 1/20 0.41

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
SCHEMBL7925159 0.92 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309410 0.88 POLB (0.54) PIK3CAMTORPIK3R1POLBPIK3CD
SCHEMBL31147112 0.85 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309279 0.80 PIK3CA (0.61) PIK3CAMTORPIK3R1POLBPIK3CD
SCHEMBL15386450 0.78 PIK3CA (0.84) PIK3CAMTORPIK3R1POLBPIK3CD
SCHEMBL29434917 0.78 PIK3CA (0.84) PIK3CAMTORPIK3R1POLBPIK3CD
SCHEMBL777894 0.78 HRH1 (0.55) PIK3CAMTORPIK3R1POLBPIK3CD
SCHEMBL30805488 0.76 PIK3CA (0.83) PIK3CAMTORPIK3R1POLBPIK3CD
SCHEMBL1309314 0.76 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL778162 0.76 HRH1 (0.65) PIK3CAMTORPIK3R1POLBPIK3CD

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-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2022-05-05 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-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R PIK3CA 4513/4885MTOR 4473/4885PIK3R1 3948/4885

“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.