SCHEMBL3700449

SCHEMBL3700449

CCCC(=O)Nc1ccc(Nc2nc(N3CCC(N(C)C(=O)O)CC3)c3occc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 6/20 0.38
LRRK2 Q5S007 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SOS2 Q07890 1/20 0.36
CDK4 P11802 4/20 0.36
CCND3 P30281 4/20 0.36
MCHR1 Q99705 1/20 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
SCHEMBL3700569 0.85 LRRK2 (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3707735 0.84 LMNA (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3706179 0.83 PIK3R1 (0.43) LRRK2
SCHEMBL3706049 0.82 DGAT1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3710081 0.82 JAK3 (0.44) CDK4CCND3SYKJAK3BTK
SCHEMBL3707445 0.80 TRPV1 (0.40) EGFRLRRK2SYKJAK3BTK
SCHEMBL3712744 0.79 SYK (0.37) ALDH1A1MAPTEGFRHPGDNPC1
SCHEMBL3702281 0.79 SYK (0.39) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3711314 0.78 JAK2 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3708548 0.78 CDK2 (0.39) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1

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-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

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 ALDH1A1 489/4885MAPT 2194/4885SMN1; SMN2 4293/4885

“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.