SCHEMBL3700569

SCHEMBL3700569

CCCC(=O)Nc1ccc(Nc2nc(N3CCC(CN)CC3)c3occc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
SYK P43405 2/20 0.38
HPGD P15428 2/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
CD69 Q07108 1/20 0.37
PIK3R1 P27986 4/20 0.37
PIK3CA P42336 4/20 0.37
MTOR P42345 4/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36

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
SCHEMBL3706049 0.88 DGAT1 (0.37) LRRK2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3700449 0.85 ALDH1A1 (0.41) LRRK2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3704407 0.82 SYK (0.40) LRRK2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3698614 0.82 SYK (0.49) SYKJAK3BTKCD69
SCHEMBL3702606 0.81 CA1 (0.45) PIK3R1PIK3CAMTOR
SCHEMBL3706306 0.78 SYK (0.42) LRRK2SYK
SCHEMBL3712642 0.77 SYK (0.52) SYK
SCHEMBL7603962 0.76 CA1 (0.44) PIK3R1PIK3CAMTOR
SCHEMBL1709831 0.76 SYK (0.42) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3712696 0.76 TRPV1 (0.40) MAPTSYK

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 6 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 claimed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
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

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 LRRK2 1497/4885ALDH1A1 489/4885MAPT 2194/4885

“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.