SCHEMBL7883140

SCHEMBL7883140

CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
HSP90AA1 P07900 2/20 0.41
PRKAB1 Q9Y478 5/20 0.41
PRKAB2 O43741 4/20 0.41
PRKAG1 P54619 4/20 0.41
PRKAA2 P54646 4/20 0.41
PRKAA1 Q13131 4/20 0.41
PRKAG3 Q9UGI9 4/20 0.41
PRKAG2 Q9UGJ0 4/20 0.41
KDM4E B2RXH2 7/20 0.40
KDR P35968 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 3/20 0.40
FLT1 P17948 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACVR1 Q04771 2/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL10234784 0.91 SIGMAR1 (0.43) SIGMAR1PRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL7884476 0.91 SIGMAR1 (0.41) SIGMAR1PRKAB1PRKAB2PRKAG1PRKAA2
SCHEMBL7881302 0.86 PRKAB1 (0.43) SIGMAR1HSP90AA1PRKAB1PRKAB2PRKAG1
SCHEMBL584148 0.82 AKR1C3 (0.43) HSP90AA1KDM4EKDRALDH1A1NPC1
SCHEMBL10234783 0.77 ACHE (0.42) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7882569 0.76 PRKAB2 (0.41) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2703163 0.74 JAK1 (0.40) HSP90AA1KDRALDH1A1NPC1RAB9A
SCHEMBL10328032 0.74 HSP90AA1 (0.39) HSP90AA1KDRLCKSRC
SCHEMBL596083 0.74 CHEK1 (0.44) HSP90AA1KDM4EALDH1A1HPGDGAA
SCHEMBL6893608 0.73 MAP4K4 (0.38) KDRNPC1MEN1KMT2ALCK

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 SIGMAR1 4058/4885HSP90AA1 617/4885PRKAB1 84/4885

“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.