SCHEMBL7887431

SCHEMBL7887431

COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.43
▸ MTOR P42345 8/20 0.43
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL10234977 0.92 MTOR (0.44) PIK3CAMTORPIK3CD
SCHEMBL10234905 0.90 RET (0.41) PIK3CAMTORJAK1JAK3
SCHEMBL2679994 0.90 MTOR (0.41) PIK3CAMTORPIK3CD
SCHEMBL10234674 0.90 MTOR (0.41) PIK3CAMTORPIK3CD
SCHEMBL10235351 0.90 MTOR (0.34) PIK3CAMTORJAK1JAK3PIK3CD
SCHEMBL2679993 0.90 MTOR (0.41) PIK3CAMTORPIK3CD
SCHEMBL10234867 0.89 RAB9A (0.38) PIK3CAMTORPIK3CD
SCHEMBL7886688 0.88 PIK3CA (0.43) PIK3CAMTORPIK3CD
SCHEMBL10238033 0.88 CHEK1 (0.43) MTOR
SCHEMBL10234966 0.88 KDR (0.36) PIK3CAMTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PIK3CA 34/4885MTOR 1/4885JAK1 735/4885

“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.

Send feedback