SCHEMBL13165570

SCHEMBL13165570

CC(=O)Nc1ccnc(NC(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.66
JAK2 O60674 3/20 0.66
JAK1 P23458 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.57
MAPKAPK2 P49137 1/20 0.52
BRAF P15056 1/20 0.52
PIK3C3 Q8NEB9 4/20 0.51
ACVRL1 P37023 2/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
RAB9A P51151 1/20 0.49
TNNC1 P63316 1/20 0.49
RUNX1 Q01196 1/20 0.49
KMT2A Q03164 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
SCHEMBL16840724 0.89 TYK2 (0.60) TYK2JAK2JAK1L3MBTL1MAPKAPK2
SCHEMBL19728663 0.87 TYK2 (0.64) TYK2JAK2JAK1L3MBTL1MAPKAPK2
SCHEMBL11371375 0.85 NPC1 (0.60) TYK2JAK2JAK1MAPKAPK2BRAF
SCHEMBL12975420 0.83 L3MBTL1 (0.55) TYK2JAK2JAK1L3MBTL1MAPKAPK2
SCHEMBL10264295 0.83 L3MBTL1 (0.55) TYK2JAK2JAK1L3MBTL1BRAF
SCHEMBL24951596 0.83 TYK2 (0.53) TYK2JAK2JAK1L3MBTL1MAPKAPK2
SCHEMBL30202790 0.83 TYK2 (0.53) TYK2JAK2JAK1L3MBTL1MAPKAPK2
SCHEMBL197857 0.82 KDM5A (0.54) TYK2JAK2JAK1L3MBTL1KDM4E
SCHEMBL19736273 0.82 TYK2 (0.52) TYK2JAK2JAK1L3MBTL1MAPKAPK2
SCHEMBL5520229 0.81 KDM4E (0.49) TYK2JAK2JAK1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TYK2 2258/4885JAK2 1856/4885JAK1 2463/4885
US-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 TYK2 1776/4885JAK2 1706/4885JAK1 1697/4885

“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.