SCHEMBL3282931

SCHEMBL3282931

COc1cc2c(c(OC3CCCC3)c1)CNC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.44
PDE3B Q13370 1/20 0.44
PDE4B Q07343 18/20 0.39
PDE4A P27815 11/20 0.39
PDE4C Q08493 11/20 0.39
PDE4D Q08499 11/20 0.39
CYP3A4 P08684 2/20 0.39
VEGFA P15692 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
TNF P01375 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL6671145 0.75 PDE3B (0.53) PDE3APDE3BALDH1A1
SCHEMBL6403354 0.71 MCHR1 (0.45) CREBBP
SCHEMBL15427070 0.66 PDE3B (0.45) PDE3APDE3BALDH1A1LMNAMAPT
SCHEMBL3282933 0.66 PDE4A (0.34) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL293099 0.64 PDE3B (0.77) PDE3APDE3BALDH1A1
SCHEMBL27521810 0.64 PDE4A (0.60) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL3282936 0.63 ALDH1A1 (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6907670 0.62 PDE4A (0.62) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL30775216 0.62 ALDH1A1 (0.47) PDE3APDE3BCYP3A4ALDH1A1LMNA
SCHEMBL3261887 0.62 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DCYP3A4

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-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 US disclosed
US-20060258642-A1 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB 2006-11-16 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-20060258642-A1 Quinazoline derivatives for the treatment of tumours TPD52L2, NQO2, H1-5 PDE3A 646/4885PDE3B 765/4885PDE4B 1641/4885

“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.