SCHEMBL21291554

SCHEMBL21291554

CC[C@@H](Oc1cc(Br)cnc1C#N)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
CHEK1 O14757 3/20 0.30
CHEK2 O96017 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
SCHEMBL21291538 1.00 AR (0.32) ARCHEK1CHEK2
SCHEMBL20944147 0.76 GRM5 (0.42) CHEK1
SCHEMBL1629163 0.73 USP8 (0.38) CHEK1
SCHEMBL20944096 0.67 ALDH1A1 (0.39) ARCHEK1
SCHEMBL17502173 0.66 CHEK1 (0.34) ARCHEK1
SCHEMBL20607927 0.65 GCK (0.46)
SCHEMBL2656038 0.64 GCK (0.38)
SCHEMBL30683058 0.64 CHEK1 (0.32) CHEK1
SCHEMBL22925751 0.64 MAOB (0.44)
SCHEMBL29620899 0.64 MAOB (0.44)

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-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
EP-3530657-A1 2-POLYSUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE AND PREPARATION AND MEDICAL USE Zhejiang University (CN) 2019-08-28 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 (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-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 AR 3099/4885CHEK1 1/4885CHEK2 3/4885

“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.