SCHEMBL7886240

SCHEMBL7886240

CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3cnc4sccc4c3)cnn2c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.34
▸ LCK P06239 12/20 0.34
▸ SRC P12931 11/20 0.34
▸ HCK P08631 10/20 0.34
▸ CHEK1 O14757 4/20 0.32
▸ CCNA2 P20248 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CCNA1 P78396 4/20 0.32
▸ RET P07949 3/20 0.31
▸ KIT P10721 3/20 0.31
▸ PDGFRA P16234 3/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ LYN P07948 2/20 0.31
▸ PDGFRB P09619 2/20 0.31
▸ FGR P09769 2/20 0.31
▸ FGFR1 P11362 2/20 0.31
▸ FGFR2 P21802 2/20 0.31
▸ FGFR4 P22455 2/20 0.31
▸ FGFR3 P22607 2/20 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
SCHEMBL7879269 0.95 LCK (0.32) KDRLCKSRCHCKCHEK1
SCHEMBL7874896 0.86 LCK (0.36) KDRLCKSRCHCKCHEK1
SCHEMBL7875019 0.86 ROCK2 (0.35) KDRLCKSRCHCKCHEK1
SCHEMBL10237931 0.85 RAB9A (0.35) KDRLCKSRCHCKCHEK1
SCHEMBL10234692 0.85 PIK3CA (0.34) KDRLCKSRCHCKCHEK1
SCHEMBL10237007 0.85 LCK (0.38) KDRLCKSRCHCKCHEK1
SCHEMBL10237939 0.83 PIK3CD (0.34) KDRLCKSRCHCKCHEK1
SCHEMBL7884556 0.83 LCK (0.38) KDRLCKSRCHCKRET
SCHEMBL10234892 0.83 CHEK1 (0.40) KDRLCKSRCHCKCHEK1
SCHEMBL7875015 0.83 MET (0.33) KDRLCKSRCHCKCHEK1

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

“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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