SCHEMBL3565817

SCHEMBL3565817

Nc1ncc(C2CCC2)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.43
ALOX5AP P20292 6/20 0.43
TDO2 P48775 2/20 0.40
DHFR P00374 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
SCHEMBL1318378 0.96 TDO2 (0.44) FEN1ALOX5APTDO2DHFR
SCHEMBL3450475 0.94 TDO2 (0.46) FEN1ALOX5APTDO2DHFR
SCHEMBL1320584 0.94 TDO2 (0.46) FEN1ALOX5APTDO2DHFR
SCHEMBL2444528 0.92 DHFR (0.41) FEN1ALOX5APTDO2DHFR
SCHEMBL30714999 0.92 DHFR (0.41) FEN1ALOX5APTDO2DHFR
SCHEMBL1512134 0.83 DHFR (0.46) DHFR
SCHEMBL3779654 0.83 HRH4 (0.45) DHFR
SCHEMBL5781142 0.83 DHFR (0.37) FEN1ALOX5APDHFR
SCHEMBL12541973 0.83 DHFR (0.37) DHFR
SCHEMBL12541975 0.83 DHFR (0.37) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061116-A Aminopyrimidine compound, preparation method, composition and application thereof 上海医药工业研究院 2021-07-02 CN disclosed
CN-110467638-A A kind of double amino Chloropyrimide class compounds containing m-chloroaniline class substituent group, preparation method and applications BEIJING SAITE MINGQIANG MEDICINE TECH CO LTD 2019-11-19 CN disclosed
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 FEN1 2694/4885ALOX5AP 3643/4885TDO2 1889/4885

“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.