SCHEMBL3300191

SCHEMBL3300191

OC(Cc1nccc2nc(Nc3ccc(F)cc3)nn12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.40
JAK2 O60674 4/20 0.38
MAPK8 P45983 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 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
JAK3 P52333 2/20 0.37
PTK2 Q05397 2/20 0.37

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
SCHEMBL2144572 0.85 JAK2 (0.40) KCNH3JAK2CYP11B1CYP11B2MEN1
SCHEMBL3305825 0.76 JAK2 (0.42) KCNH3JAK2NPC1MAPTMAPK1
SCHEMBL3300159 0.75 JAK2 (0.40) JAK2JAK3PTK2
SCHEMBL3308862 0.75 JAK2 (0.40) JAK2JAK3PTK2
SCHEMBL3304370 0.73 JAK2 (0.39) KCNH3JAK2NPC1MAPTMAPK1
SCHEMBL3303574 0.73 JAK2 (0.39) KCNH3JAK2MAPK8JAK3PTK2
SCHEMBL3304401 0.72 JAK2 (0.41) JAK2JAK3PTK2
SCHEMBL3304954 0.72 JAK2 (0.44) KCNH3JAK2NPC1LMNAMAPT
SCHEMBL3301001 0.72 MEN1 (0.36) KCNH3JAK2MEN1NPC1LMNA
SCHEMBL3305082 0.71 MEN1 (0.48) KCNH3JAK2MEN1NPC1LMNA

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 KCNH3 2766/4885JAK2 26/4885MAPK8 189/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KCNH3 2766/4885JAK2 26/4885MAPK8 189/4885

“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.