SCHEMBL6891388

SCHEMBL6891388

CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(F)c2)c1-c1ccc(N)nc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.76
MTOR P42345 20/20 0.76

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
SCHEMBL6894314 0.95 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL6893552 0.92 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL10156856 0.88 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL10129606 0.86 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL10158704 0.84 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL10156820 0.84 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL10158299 0.83 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL10156857 0.83 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL10157749 0.83 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL6893739 0.82 PIK3CA (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092198-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO 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-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 PIK3CA 1371/4885MTOR 1291/4885

“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.