SCHEMBL3297797

SCHEMBL3297797

O=C1CN(Cc2cccc3nc(Br)nn23)CCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
JAK1 P23458 1/20 0.46
SLC2A1 P11166 2/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GRM5 P41594 1/20 0.36
PARP1 P09874 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SLC2A2 P11168 2/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
SCN9A Q15858 2/20 0.34
CXCR4 P61073 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FGFR1 P11362 2/20 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
SCHEMBL3303336 0.86 JAK1 (0.46) JAK2JAK1SLC2A1KMT2AATM
Hydrochloric Acid SCHEMBL3303341 0.85 JAK1 (0.45) JAK2JAK1SLC2A1KMT2AATM
SCHEMBL3300360 0.83 JAK2 (0.39) JAK2JAK1SLC2A1KMT2AATM
SCHEMBL2144840 0.76 JAK2 (0.46) JAK2JAK1SCN9A
SCHEMBL3300315 0.75 JAK2 (0.42) JAK2JAK1SLC2A1KMT2AATM
SCHEMBL2144634 0.74 JAK2 (0.44) JAK2JAK1KMT2AATMGRM5
SCHEMBL3305067 0.73 JAK2 (0.44) JAK2JAK1SLC2A1KMT2AATM
SCHEMBL2144548 0.71 JAK2 (0.42) JAK2JAK1KMT2AATMPARP1
SCHEMBL2144266 0.71 JAK2 (0.42) JAK2JAK1SLC2A2
SCHEMBL2145314 0.70 JAK1 (0.46) JAK2JAK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
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 JAK2 26/4885JAK1 69/4885SLC2A1 3557/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885SLC2A1 3557/4885

“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.