SCHEMBL1709840

SCHEMBL1709840

Cc1cc(Br)cc2c1cnn2C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ATR Q13535 4/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RET P07949 2/20 0.35
GAA P10253 1/20 0.34
PDE1A P54750 3/20 0.34
PDE1B Q01064 3/20 0.34
PDE1C Q14123 3/20 0.34
PDE9A O76083 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21195793 0.87 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL19948345 0.86 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25795329 0.85 RXRA (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24536348 0.85 ALDH1A1 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31393156 0.85 ALDH1A1 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1290827 0.84 ALDH1A1 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29921466 0.84 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20699339 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL2144900 0.84 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29003306 0.84 RXRA (0.44) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 WO 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 CYP4F2 454/4885CYP4A11 490/4885RXRA 1403/4885

“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.