SCHEMBL10235358

SCHEMBL10235358

CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4cnc5sccc5c4)nc3)cnn2c1N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.32
▸ PIK3CA P42336 4/20 0.32
▸ LCK P06239 4/20 0.32
▸ SRC P12931 4/20 0.32
▸ KDR P35968 4/20 0.32
▸ RET P07949 2/20 0.32
▸ KIT P10721 2/20 0.32
▸ PDGFRA P16234 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FGR P09769 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KIF5B P33176 1/20 0.32
▸ BLK P51451 1/20 0.32

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
SCHEMBL7875019 0.95 ROCK2 (0.35) LCKSRCKDRRETKIT
SCHEMBL7875015 0.89 MET (0.33) MTORPIK3CALCKSRCKDR
SCHEMBL10238351 0.88 LCK (0.38) MTORPIK3CALCKSRCKDR
SCHEMBL10234869 0.87 CHEK1 (0.41) MTORPIK3CAKDRCHEK1CCNA2
SCHEMBL7879269 0.87 LCK (0.32) MTORPIK3CALCKSRCKDR
SCHEMBL2679993 0.86 MTOR (0.41) MTORPIK3CAKDRRETKIF5B
SCHEMBL2679994 0.86 MTOR (0.41) MTORPIK3CAKDRRETKIF5B
SCHEMBL10234674 0.86 MTOR (0.41) MTORPIK3CAKDRRETKIF5B
SCHEMBL10235351 0.86 MTOR (0.34) MTORPIK3CAROCK2CYP3A4CHEK1
SCHEMBL10234867 0.86 RAB9A (0.38) MTORPIK3CACYP3A4CHEK1CCNA2

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-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

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 MTOR 1/4885PIK3CA 34/4885LCK 1161/4885

“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.

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