SCHEMBL7875485

SCHEMBL7875485

N#Cc1c(CNC2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn2c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.39
MET P08581 3/20 0.37
GRM2 Q14416 2/20 0.36
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
MAPK14 Q16539 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP11B2 P19099 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
CASP3 P42574 1/20 0.32
BLM P54132 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
SCHEMBL10234740 0.91 CHEK1 (0.36) MAP4K4METGRM2CHEK1CCNA2
SCHEMBL7882163 0.90 JAK1 (0.41) MAP4K4METGRM2CHEK1CCNA2
SCHEMBL7874894 0.88 MAP4K4 (0.41) MAP4K4METCHEK1CCNA2CDK2
SCHEMBL7883701 0.85 DYRK1A (0.38) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL10239304 0.83 MET (0.38) MAP4K4METCHEK1CCNA2CDK2
SCHEMBL7884549 0.83 MAP4K4 (0.38) MAP4K4METMEN1KMT2ANPC1
SCHEMBL10239296 0.83 MET (0.38) MAP4K4METCHEK1CCNA2CDK2
SCHEMBL6892935 0.79 CHEK1 (0.40) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL7879262 0.79 CHEK1 (0.37) MAP4K4METCHEK1CCNA2CDK2
SCHEMBL10239234 0.78 CHEK1 (0.48) METCHEK1CCNA2CDK2CCNA1

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 MAP4K4 341/4885MET 1965/4885GRM2 1724/4885

“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.