SCHEMBL1249352

SCHEMBL1249352

COc1cccc(NC(=O)n2nc(Nc3ccccc3)nc2N)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.63
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
JAK3 P52333 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
EIF2AK2 P19525 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49

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
SCHEMBL6102797 0.84 ADORA2A (0.61) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL1250439 0.84 JAK2 (0.79) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL1249732 0.83 JAK2 (0.70) JAK2JAK1TYK2JAK3CCNB2
SCHEMBL1167941 0.83 BACE1 (0.58) JAK2
SCHEMBL1167552 0.82 BACE1 (0.57) JAK2
SCHEMBL12781067 0.81 FLT3 (0.62) JAK2
SCHEMBL1168505 0.79 JAK2 (0.59) JAK2MEN1KMT2AMAPTL3MBTL1
SCHEMBL24340474 0.78 JAK2 (0.84) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL1167781 0.78 KMT2A (0.56) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL24339589 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3CCNB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma NOVARTIS AG (CH) 2004-09-23 US claimed
EP-2281560-A1 Inhibitors of glycogen synthase kinase-3 (GSK-3) for treating glaucomatous optic neuropathy Alcon, Inc. (CH) 2011-02-09 EP disclosed
US-7598288-B2 Inhibitors of glycogen synthase kinase-3 (GSK-3) for treating glaucoma ALCON, INC. (CH) 2009-10-06 US disclosed
US-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma NOVARTIS AG (CH) 2004-09-23 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 (1 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-20040186159-A1 Inhibitors of glycogen synthase kinase-3 (gsk-3) for treating glaucoma GSK3B, GSK3A, GSKIP JAK2 2797/4885JAK1 3044/4885TYK2 2654/4885

“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.