SCHEMBL10239331

SCHEMBL10239331

CC(N[C@@H]1CCOC1)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.37
PDE1B Q01064 6/20 0.36
PDE1C Q14123 4/20 0.36
PDE1A P54750 3/20 0.36
NTRK1 P04629 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK14 Q16539 1/20 0.33
JAK2 O60674 1/20 0.33
CHEK1 O14757 5/20 0.33
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
CCNA1 P78396 5/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL595888 0.96 NTRK1 (0.36) METNTRK1PDE3BPDE3AMEN1
SCHEMBL7882869 0.95 KCNH2 (0.38) METPDE1BPDE1CPDE1ANTRK1
SCHEMBL7879911 0.94 KMT2A (0.35) METNTRK1MEN1NPC1RAB9A
SCHEMBL10235234 0.92 PDE1B (0.36) METPDE1BPDE1CPDE1APDE3B
SCHEMBL10235011 0.88 HSP90AA1 (0.34) CHEK1CCNA2CDK2CCNA1
SCHEMBL10235263 0.88 OPRK1 (0.36) PDE1BPDE1CPDE1AMEN1NPC1
SCHEMBL10239336 0.87 GAA (0.35) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL10235231 0.86 CHEK1 (0.34) MEN1NPC1RAB9AKMT2ACHEK1
SCHEMBL10239329 0.86 OPRK1 (0.35) METNTRK1MEN1NPC1RAB9A
SCHEMBL7874925 0.85 DYRK1A (0.37) METMAPK14JAK2CCNA2CDK2

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 2 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

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 MET 1965/4885PDE1B 3452/4885PDE1C 4273/4885

“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.