SCHEMBL1014904

SCHEMBL1014904

Brc1ccc(-c2ccnc3cc(-c4ccncc4)nn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
PDE4D Q08499 2/20 0.53
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
BRAF P15056 5/20 0.47
FYN P06241 4/20 0.46
KDM4E B2RXH2 1/20 0.44
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL1016329 0.86 HTT (0.54) HTTPDE4DLMNANPC1RAB9A
SCHEMBL14542187 0.77 NPC1 (0.63) PDE4DLMNANPC1RAB9AMAPT
SCHEMBL4146995 0.77 MAPT (0.58) HTTPDE4DLMNANPC1RAB9A
SCHEMBL4655958 0.76 MAPT (0.57) HTTPDE4DLMNANPC1RAB9A
SCHEMBL14422556 0.75 BRAF (0.60) PDE4DMAPTMEN1KMT2ABRAF
SCHEMBL4714117 0.72 BRAF (0.79) BRAFFYN
SCHEMBL4655911 0.71 MAPT (0.62) HTTLMNANPC1RAB9AMAPT
SCHEMBL1019923 0.71 BRAF (0.63) HTTBRAFFYN
SCHEMBL4054020 0.70 BRAF (0.51) HTTLMNANPC1RAB9AMAPT
SCHEMBL5803849 0.67 MKNK1 (0.59) HTTLMNANPC1RAB9AMAPT

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
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF HTT 4606/4885PDE4D 1248/4885LMNA 3186/4885

“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.