SCHEMBL3305082

SCHEMBL3305082

Cc1nccc2nc(Nc3ccc(F)cc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CDK2 P24941 4/20 0.45
JAK2 O60674 4/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
KCNH3 Q9ULD8 4/20 0.41
CDK4 P11802 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.40
AURKA O14965 1/20 0.40
EIF2AK2 P19525 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3303783 0.78 JAK2 (0.48) MEN1MAPTRAB9AKMT2AJAK2
SCHEMBL30263742 0.76 JAK2 (0.74) CDK2JAK2CYP1A2CYP3A4CYP2D6
SCHEMBL3302452 0.71 MAPK14 (0.41) MEN1NPC1LMNAMAPTALOX12
SCHEMBL3300191 0.71 KCNH3 (0.40) MEN1NPC1LMNAMAPTALOX12
SCHEMBL3301001 0.71 MEN1 (0.36) MEN1NPC1LMNAMAPTALOX12
SCHEMBL3204002 0.71 JAK2 (0.77) JAK2
SCHEMBL3308990 0.70 MAPKAPK2 (0.35) MEN1NPC1LMNAMAPTALOX12
SCHEMBL3301223 0.70 KDR (0.52) NPC1MAPTMAPK1RAB9ACDK2
SCHEMBL3299809 0.69 JAK2 (0.45) CDK2JAK2KCNH2SCN9AKCNH3
SCHEMBL2144591 0.69 JAK2 (0.50) JAK2

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 MEN1 4152/4885NPC1 2430/4885LMNA 2134/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MEN1 4152/4885NPC1 2430/4885LMNA 2134/4885

“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.