SCHEMBL19728663

SCHEMBL19728663

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.64
JAK2 O60674 2/20 0.53
JAK1 P23458 2/20 0.53
ACVRL1 P37023 2/20 0.52
BRAF P15056 2/20 0.52
MAPKAPK2 P49137 1/20 0.49
MAPT P10636 4/20 0.44
GSK3B P49841 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL13230506 0.88 TYK2 (0.60) TYK2ACVRL1BRAFMAPKAPK2MAPT
SCHEMBL13165570 0.87 TYK2 (0.66) TYK2JAK2JAK1ACVRL1BRAF
SCHEMBL15268027 0.86 TYK2 (0.61) TYK2ACVRL1BRAFMAPTGSK3B
SCHEMBL23212152 0.82 TYK2 (0.57) TYK2ACVRL1BRAFMAPTGSK3B
SCHEMBL17613356 0.82 TYK2 (0.57) TYK2JAK2JAK1ACVRL1BRAF
SCHEMBL16840724 0.80 TYK2 (0.60) TYK2JAK2JAK1ACVRL1BRAF
SCHEMBL19728662 0.80 TYK2 (0.55) TYK2ACVRL1BRAFMAPTGSK3B
SCHEMBL19699534 0.79 MAPT (0.59) TYK2MAPTL3MBTL1NPC1RAB9A
SCHEMBL19728666 0.79 TYK2 (0.53) TYK2ACVRL1BRAFMAPTGSK3B
SCHEMBL1706594 0.78 TYK2 (1.00) TYK2JAK2JAK1

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 1 patent. 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

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TYK2 2258/4885JAK2 1856/4885JAK1 2463/4885

“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.