SCHEMBL7879269

SCHEMBL7879269

CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4cnc5sccc5c4)nc3)cnn2c1N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 7/20 0.32
▸ SRC P12931 7/20 0.32
▸ KDR P35968 7/20 0.32
▸ HCK P08631 6/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ RET P07949 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ FGR P09769 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KIF5B P33176 1/20 0.31
▸ BLK P51451 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31

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
SCHEMBL7886240 0.95 KDR (0.34) LCKSRCKDRHCKJAK2
SCHEMBL7874896 0.89 LCK (0.36) LCKSRCKDRHCKJAK2
SCHEMBL7875015 0.89 MET (0.33) LCKSRCKDRHCKJAK2
SCHEMBL10234892 0.87 CHEK1 (0.40) LCKSRCKDRHCKCHEK1
SCHEMBL10235350 0.87 MTOR (0.33) LCKSRCKDRHCKCHEK1
SCHEMBL10234687 0.87 MTOR (0.40) LCKSRCKDRHCKRET
SCHEMBL10235358 0.87 MTOR (0.32) LCKSRCKDRHCKJAK2
SCHEMBL10234883 0.86 KMT2A (0.39) PIK3CAMTORRPTORMLST8
SCHEMBL10237939 0.86 PIK3CD (0.34) LCKSRCKDRHCKCHEK1
SCHEMBL7884556 0.86 LCK (0.38) LCKSRCKDRHCKJAK2

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 LCK 1161/4885SRC 1455/4885KDR 3315/4885

“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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