SCHEMBL3304584

SCHEMBL3304584

Cc1nccc2nc(N)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.44
JAK1 P23458 1/20 0.40
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK9 P50750 2/20 0.38
CHEK1 O14757 1/20 0.38
MET P08581 1/20 0.38
LTK P29376 1/20 0.38
PRKX P51817 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL17254528 0.80 EGLN2 (0.38) JAK1ALDH1A1HPGDHSD17B10GAA
SCHEMBL3304445 0.78 NUDT1 (0.43) NUDT1JAK1KDM4EALDH1A1HPGD
SCHEMBL7870509 0.77 JAK1 (0.50) NUDT1JAK1KDM4EALDH1A1HPGD
SCHEMBL3582788 0.77 NUDT1 (0.39) NUDT1JAK1KDM4EALDH1A1HPGD
SCHEMBL3306356 0.75 NUDT1 (0.57) NUDT1JAK1KDM4EALDH1A1HPGD
SCHEMBL10594663 0.75 NUDT1 (0.41) NUDT1JAK1KDM4EALDH1A1HPGD
SCHEMBL10594383 0.74 NUDT1 (0.48) NUDT1JAK1KDM4EALDH1A1HPGD
SCHEMBL10855879 0.73 NUDT1 (0.42) NUDT1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3584146 0.73 JAK1 (0.60) JAK1KDM4EALDH1A1HPGDNPC1
SCHEMBL3308617 0.73 EGLN2 (0.47) NUDT1JAK1KDM4EALDH1A1HPGD

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 2 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-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 NUDT1 1120/4885JAK1 69/4885KDM4E 1965/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NUDT1 1120/4885JAK1 69/4885KDM4E 1965/4885

“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.