SCHEMBL30583067

SCHEMBL30583067

N#Cc1ncccc1OC1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.59
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51

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
SCHEMBL20472482 0.84 PDE5A (0.46) CHEK1
SCHEMBL26518454 0.83 PDE5A (0.45) CHEK1
SCHEMBL26506522 0.81 SCD (0.41) CHEK1
SCHEMBL15058349 0.78 CHEK1 (0.51) CHEK1CHRNB2CHRNA4
SCHEMBL15058351 0.78 CHEK1 (0.51) CHEK1CHRNB2CHRNA4
SCHEMBL20150369 0.77 CHEK1 (0.59) CHEK1
SCHEMBL20150279 0.76 CHEK1 (1.00) CHEK1
SCHEMBL20150697 0.75 CHEK1 (0.80) CHEK1
SCHEMBL23761231 0.75 TBK1 (0.48) CHEK1
SCHEMBL20150280 0.73 CHEK1 (1.00) CHEK1

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-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 — — US claimed

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 CHEK1 1/4885CHRNB2 4501/4885CHRNA4 4239/4885

“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.

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