SCHEMBL10158181

SCHEMBL10158181

Cc1cc(-c2ncnc(C)c2-c2ccc(N)nc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.64
PIK3CA P42336 13/20 0.64
MAP4K4 O95819 2/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
PIK3CB P42338 1/20 0.40
DYRK1A Q13627 1/20 0.38

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
SCHEMBL10158601 0.86 MTOR (0.65) MTORPIK3CAMAP4K4TLR9TLR8
SCHEMBL10157356 0.82 PIK3CA (0.65) MTORPIK3CAMAP4K4
SCHEMBL11070788 0.80 TLR8 (0.60) MTORPIK3CAMAP4K4TLR9TLR8
SCHEMBL10157336 0.80 PIK3CA (0.60) MTORPIK3CAMAP4K4
SCHEMBL6892154 0.78 MTOR (1.00) MTORPIK3CA
SCHEMBL14652589 0.75 PIK3C3 (0.51) MTORPIK3CAPIK3CB
SCHEMBL10158171 0.75 PIK3CA (0.68) MTORPIK3CAPIK3CB
SCHEMBL10157894 0.75 PIK3CA (0.68) MTORPIK3CAPIK3CBDYRK1A
SCHEMBL10157313 0.74 MTOR (0.67) MTORPIK3CAMAP4K4
SCHEMBL10157873 0.74 MTOR (0.69) MTORPIK3CAMAP4K4PIK3CB

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-20120028952-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-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 MTOR 1291/4885PIK3CA 1371/4885MAP4K4 1769/4885

“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.