SCHEMBL21850226

SCHEMBL21850226

CC(C)(CO)n1cc(N=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.40
KDM5B Q9UGL1 1/20 0.37
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ABL1 P00519 1/20 0.32
PDK2 Q15119 1/20 0.32
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR3 P22607 2/20 0.32
ALOX5AP P20292 1/20 0.30

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
SCHEMBL15382055 0.74 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL24627322 0.73 CYP4F2 (0.41) FGFR3
SCHEMBL14149258 0.73 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL12019737 0.73 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL1582031 0.73 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL17480021 0.71 KIT (0.42) KITKDM5BJAK2JAK1TYK2
SCHEMBL19531691 0.70 KDM5B (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL16594168 0.70 KIT (0.36) KITKDM5BJAK2JAK1TYK2
SCHEMBL16424234 0.70 F2 (0.40) KITKDM5B
SCHEMBL24333809 0.69 KIT (0.40) KITKDM5BJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-04-15 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP 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-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 KIT 834/4885KDM5B 2254/4885JAK2 486/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 KIT 834/4885KDM5B 2254/4885JAK2 486/4885

“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.