SCHEMBL12136186

SCHEMBL12136186

Cc1nc(N)nc(-c2ccc(C(=O)NC3CCN(C)CC3)cc2)c1C#Cc1ccc(N)nc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.55
PIK3CA P42336 17/20 0.55

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
SCHEMBL12136201 0.87 MTOR (0.73) MTORPIK3CA
SCHEMBL12136189 0.84 MTOR (0.57) MTORPIK3CA
SCHEMBL12137779 0.84 ATR (0.49) MTORPIK3CA
SCHEMBL12136191 0.83 MTOR (0.74) MTORPIK3CA
SCHEMBL12136368 0.81 PIK3CA (0.54) MTORPIK3CA
SCHEMBL12136355 0.80 PIK3CA (0.54) MTORPIK3CA
SCHEMBL12136403 0.80 PIK3CA (0.64) MTORPIK3CA
SCHEMBL12136208 0.79 MTOR (0.64) MTORPIK3CA
SCHEMBL1358747 0.79 MTOR (0.61) MTORPIK3CA
SCHEMBL1357016 0.79 MTOR (0.58) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916548-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916548-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 US disclosed
WO-2010012740-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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-20110281838-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 MTOR 1488/4885PIK3CA 1567/4885

“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.