SCHEMBL3302452

SCHEMBL3302452

OC1CCC(Oc2nccc3nc(Nc4ccc(F)cc4)nn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
JAK2 O60674 6/20 0.36
CDK1 P06493 1/20 0.36
FLT3 P36888 2/20 0.36
TNIK Q9UKE5 1/20 0.36
LRRK2 Q5S007 1/20 0.35
JAK1 P23458 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL3308990 0.84 MAPKAPK2 (0.35) MAPK14MAPTMEN1NPC1LMNA
SCHEMBL2144730 0.82 TYK2 (0.39) MAPK14JAK2CDK1FLT3TNIK
SCHEMBL2144735 0.82 TYK2 (0.39) MAPK14JAK2CDK1FLT3TNIK
SCHEMBL3304245 0.77 JAK2 (0.45) JAK2JAK1KCNH2SCN9AMAPK8
SCHEMBL3300868 0.77 JAK2 (0.44) MAPTLMNAJAK2JAK1KCNH2
SCHEMBL2144516 0.72 CDK1 (0.43) MAPK14MAPKAPK2JAK2CDK1FLT3
SCHEMBL2144513 0.72 CDK1 (0.43) MAPK14MAPKAPK2JAK2CDK1FLT3
SCHEMBL3305082 0.71 MEN1 (0.48) MAPTMEN1NPC1LMNAALOX12
SCHEMBL3299882 0.71 CHEK1 (0.43) MAPKAPK2JAK2JAK1KCNH2SCN9A
SCHEMBL14353463 0.69 FLT3 (0.47) MAPKAPK2JAK2CDK1FLT3JAK1

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 MAPK14 391/4885MAPT 1496/4885MEN1 4152/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPK14 391/4885MAPT 1496/4885MEN1 4152/4885

“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.