SCHEMBL3303549

SCHEMBL3303549

CC(=O)Nc1nccc2nc(N)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.38
LMNA P02545 1/20 0.37
JAK1 P23458 1/20 0.36
FLT3 P36888 3/20 0.36
KIT P10721 2/20 0.36
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
PRNP P04156 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CA P42336 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
PTK2 Q05397 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL3304787 0.76 JAK2 (0.50) LMNAJAK1FLT3KITPOLB
SCHEMBL3306035 0.75 NUDT1 (0.49) NUDT1LMNAJAK1POLBKDM4E
SCHEMBL3303456 0.73 JAK1 (0.42) NUDT1JAK1KDM4EGAAEGLN2
SCHEMBL3304584 0.71 NUDT1 (0.44) NUDT1LMNAJAK1KDM4EMEN1
SCHEMBL3305130 0.70 MAPK8 (0.39) FLT3CCNE1CDK2FYNRET
SCHEMBL3304445 0.69 NUDT1 (0.43) NUDT1JAK1CDK2KDM4EGAA
SCHEMBL3860842 0.68 KDM4E (0.60) LMNAJAK1POLBKDM4EMEN1
SCHEMBL14888542 0.68 NUDT1 (0.58) NUDT1JAK1CDK2KDM4EEGLN2
SCHEMBL7870509 0.67 JAK1 (0.50) NUDT1JAK1KDM4EGAAEGLN2
SCHEMBL3582788 0.67 NUDT1 (0.39) NUDT1LMNAJAK1POLBKDM4E

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 1120/4885LMNA 2134/4885JAK1 69/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NUDT1 1120/4885LMNA 2134/4885JAK1 69/4885

“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.