SCHEMBL7879911

SCHEMBL7879911

CC(NC1COC1)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
RAB9A P51151 7/20 0.35
MEN1 O00255 6/20 0.35
NPC1 O15118 6/20 0.35
CHEK1 O14757 9/20 0.34
CCNA2 P20248 9/20 0.34
CDK2 P24941 9/20 0.34
CCNA1 P78396 9/20 0.34
MET P08581 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
NTRK1 P04629 1/20 0.34
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33
NCOA1 Q15788 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL10239331 0.94 MET (0.37) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL7882869 0.93 KCNH2 (0.38) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL595888 0.92 NTRK1 (0.36) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL10235231 0.92 CHEK1 (0.34) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL10239336 0.87 GAA (0.35) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL10235234 0.86 PDE1B (0.36) CHEK1CCNA2CDK2CCNA1MET
SCHEMBL7874925 0.86 DYRK1A (0.37) CCNA2CDK2METMAP4K4
SCHEMBL10239339 0.86 GAA (0.38) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL10235263 0.85 OPRK1 (0.36) KMT2ARAB9AMEN1NPC1CHEK1
SCHEMBL7884571 0.84 GAA (0.35) KMT2ARAB9AMEN1NPC1CHEK1

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 KMT2A 2825/4885RAB9A 720/4885MEN1 1398/4885

“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.