SCHEMBL7874894

SCHEMBL7874894

Nc1c(Br)c(CNC2CCOCC2)nc2c(-c3cnc4ccc(F)cc4c3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
CHEK1 O14757 9/20 0.39
CCNA2 P20248 9/20 0.39
CDK2 P24941 9/20 0.39
CCNA1 P78396 9/20 0.39
MET P08581 3/20 0.36
CYP11B2 P19099 1/20 0.34
MAPK14 Q16539 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
OPRK1 P41145 2/20 0.33

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
SCHEMBL10239296 0.95 MET (0.38) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL10239304 0.95 MET (0.38) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL6892935 0.91 CHEK1 (0.40) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL7879262 0.90 CHEK1 (0.37) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL10239234 0.90 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1MET
SCHEMBL6893658 0.90 JAK1 (0.42) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL7875485 0.88 MAP4K4 (0.39) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL7886163 0.87 CDK2 (0.37) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL10239319 0.87 CCNA2 (0.37) MAP4K4CHEK1CCNA2CDK2CCNA1
SCHEMBL2679910 0.87 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1MEN1

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 341/4885CHEK1 461/4885CCNA2 2476/4885

“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.