SCHEMBL23210486

SCHEMBL23210486

C[C@H]([C@@H](C)O)n1cc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 4/20 0.36
ELANE P08246 4/20 0.34
PLAU P00749 3/20 0.34
F2 P00734 1/20 0.34
KLKB1 P03952 1/20 0.34
ACHE P22303 5/20 0.33
HPGD P15428 1/20 0.33
OPRK1 P41145 1/20 0.32

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
SCHEMBL13738737 1.00 JAK2 (0.36) JAK2JAK1TYK2JAK3ELANE
SCHEMBL17925641 1.00 JAK2 (0.36) JAK2JAK1TYK2JAK3ELANE
SCHEMBL31722869 0.83 PLAU (0.33) ELANEPLAUF2KLKB1ACHE
SCHEMBL21776651 0.80 OPRK1 (0.35) ELANEPLAUF2KLKB1ACHE
SCHEMBL28912055 0.80 F2 (0.31) ELANEPLAUF2KLKB1
SCHEMBL671486 0.79
SCHEMBL17476836 0.78 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE
SCHEMBL17476841 0.78 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE
SCHEMBL18247281 0.78 NOS1 (0.38) JAK2JAK1TYK2JAK3ACHE
SCHEMBL17480827 0.78 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE

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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 JAK2 486/4885JAK1 1445/4885TYK2 1284/4885
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 JAK2 486/4885JAK1 1445/4885TYK2 1284/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 JAK2 486/4885JAK1 1445/4885TYK2 1284/4885

“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.