SCHEMBL3940879

SCHEMBL3940879

Nc1[nH]ncc1CCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
PNP P00491 2/20 0.35
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.33
HTR2B P41595 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL8146532 0.72 ALDH1A1 (0.54) POLBALDH1A1TDP1CYP3A4ALOX15
SCHEMBL4008741 0.71 GAA (0.38) ADORA2AADORA1ALDH1A1TDP1CYP3A4
SCHEMBL14258899 0.69
SCHEMBL63642 0.68 PDPK1 (0.38) POLBLMNAALDH1A1TDP1CYP3A4
SCHEMBL3243024 0.67 GAA (0.44) POLBADORA2AALDH1A1TDP1CYP3A4
SCHEMBL28913489 0.66 CASP1 (0.43) ADORA2AADORA1LMNAALDH1A1TDP1
SCHEMBL9376259 0.65 GFER (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL592514 0.64
SCHEMBL7094868 0.64 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL11060991 0.64 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 POLB 3906/4885ADORA2A 2204/4885ADORA1 2475/4885

“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.