SCHEMBL7880927

SCHEMBL7880927

CC(NC1CC(NC(=O)C(C)(CO)CO)C1)c1nc2c(-c3cnc4ccc(F)cc4c3)cnn2c(N)c1Br

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GRIN2B Q13224 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7883193 0.88 KMT2A (0.36) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7884551 0.84 NPC1 (0.32) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7879983 0.83 KMT2A (0.36) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7874925 0.82 DYRK1A (0.37) DYRK1A
SCHEMBL7879911 0.82 KMT2A (0.35) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10239370 0.81 KMT2A (0.36) DYRK1ANPC1RAB9AKDM4EMEN1
SCHEMBL10239355 0.81 RAB9A (0.38) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10239350 0.81 NPC1 (0.32) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10235251 0.81 KDR (0.36) DYRK1ANPC1RAB9AKDM4EMEN1
SCHEMBL10239336 0.81 GAA (0.35) DYRK1ANPC1RAB9AKDM4EMEN1

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 DYRK1A 3730/4885NPC1 348/4885RAB9A 720/4885

“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.