SCHEMBL3304084

SCHEMBL3304084

COc1cc(C(=O)c2nccc3nc(Nc4ccc5c(C)nn(C6CCCCO6)c5c4)nn23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
JAK2 O60674 5/20 0.33
PROKR1 Q8TCW9 2/20 0.32
SYK P43405 1/20 0.32
PDE7A Q13946 1/20 0.31
ATR Q13535 3/20 0.31
BRAF P15056 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
DGAT2 Q96PD7 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
ACVR1 Q04771 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL14354089 0.90 JAK2 (0.36) PDE2AHTR2ADRD3JAK2PROKR1
SCHEMBL3303763 0.79 PDE7A (0.34) JAK2SYKPDE7AATRBRAF
SCHEMBL3303474 0.78 SYK (0.34) JAK2SYKATRBRAFTBK1
SCHEMBL3303306 0.77 SYK (0.33) JAK2SYKATRTBK1ACVR1
SCHEMBL3304489 0.77 JAK2 (0.40) JAK2SYK
SCHEMBL3303107 0.76 SYK (0.35) JAK2SYKATRTBK1
SCHEMBL3308099 0.75 SYK (0.35) SYKPDE7AATRTBK1DGAT2
SCHEMBL3304664 0.74 SYK (0.35) JAK2SYKTBK1DGAT2
SCHEMBL3303644 0.73 JAK2 (0.34) JAK2SYKTBK1DGAT2
SCHEMBL3304752 0.73 NR2E1 (0.41) JAK2BRAF

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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PDE2A 1822/4885HTR2A 1267/4885DRD3 3753/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PDE2A 1822/4885HTR2A 1267/4885DRD3 3753/4885

“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.