SCHEMBL3314817

SCHEMBL3314817

COc1cc(C2CNC(=O)C2)ccc1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.76
PDE4B Q07343 12/20 0.76
PDE4C Q08493 12/20 0.76
PDE4D Q08499 12/20 0.76
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 2/20 0.63
VEGFA P15692 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
CREBBP Q92793 1/20 0.63
KDM4E B2RXH2 1/20 0.63
PDE5A O76074 1/20 0.63
TNF P01375 1/20 0.63
MAPK1 P28482 1/20 0.63
BLM P54132 1/20 0.63
PDE1A P54750 1/20 0.63
PDE1B Q01064 1/20 0.63

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
SCHEMBL17197273 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7293719 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL11099921 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL31570521 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL22562810 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL13707301 0.81 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL18117803 0.80 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL22562815 0.80 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7300690 0.80 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL9647066 0.80 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS PDE4A 809/4885PDE4B 305/4885PDE4C 963/4885

“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.