SCHEMBL10195415

SCHEMBL10195415

CCc1ncnc(N2CCOCC2)c1-c1ccc(N)nc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.64
MTOR P42345 20/20 0.64
PIK3R1 P27986 1/20 0.49

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
SCHEMBL10196551 0.92 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL10197834 0.89 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL10197880 0.89 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL10196558 0.88 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL10197871 0.87 MTOR (0.69) PIK3CAMTOR
SCHEMBL10195797 0.87 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL10195995 0.86 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL6896042 0.86 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL6895998 0.85 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL10195431 0.85 PIK3CA (0.66) PIK3CAMTOR

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-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 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-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 PIK3CA 1435/4885MTOR 1358/4885PIK3R1 2322/4885

“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.