SCHEMBL17198744

SCHEMBL17198744

CCc1cccc(-c2nnn(C)n2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.45
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL22053088 0.89 TYK2 (0.41) TYK2MAPTNPC1NFKB1RAB9A
SCHEMBL17194905 0.82 TYK2 (0.45) TYK2PDK2
SCHEMBL15698632 0.79 TYK2 (0.44) TYK2PDK2
SCHEMBL29571558 0.79 TYK2 (0.44) TYK2PDK2
SCHEMBL20073444 0.79 TYK2 (0.42) TYK2MAPTPDK2
SCHEMBL20073573 0.79 TYK2 (0.44) TYK2PDK2
SCHEMBL20073445 0.78 TYK2 (0.46) TYK2MAPTALDH1A1GAAPDK2
SCHEMBL15698670 0.77 JAK2 (0.46) TYK2
SCHEMBL22040924 0.77 TYK2 (0.45) TYK2PDK2
SCHEMBL22905995 0.77 TYK2 (0.53) TYK2

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-9505748-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-29 US disclosed
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-22 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-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TYK2 3/4885MAPT 3440/4885ALDH1A1 4349/4885

“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.