SCHEMBL3276980

SCHEMBL3276980

CC(C)(C)OC(=O)N1CCC(Oc2cc(OCc3ccccc3)cc3nc[nH]c(=O)c23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.47
YAP1 P46937 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NTSR1 P30989 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
IP6K1 Q92551 1/20 0.41

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
SCHEMBL3282183 0.86 PDE4B (0.46) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL3278994 0.85 IP6K1 (0.47) PRMT5IP6K1
SCHEMBL3280252 0.84 YAP1 (0.46) PRMT5YAP1GPR119PDE4APDE4B
SCHEMBL4033821 0.82 IP6K1 (0.51) L3MBTL1KMT2APDE4APDE4BPDE4C
SCHEMBL3274974 0.82 GPR119 (0.46) MAPTGPR119PDE4APDE4BPDE4C
SCHEMBL3277156 0.81 KDM1A (0.49) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL3283187 0.80 IP6K1 (0.48) L3MBTL1NPSR1ALDH1A1IP6K1
SCHEMBL3166578 0.78 YAP1 (0.54) PRMT5YAP1GPR119PDE4APDE4B
SCHEMBL76105 0.77 YAP1 (0.60) PRMT5YAP1GPR119
SCHEMBL2195527 0.77 PDE4A (0.53) PRMT5YAP1GPR119PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 US disclosed
US-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 US disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-20060258642-A1 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB 2006-11-16 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
EP-1450808-B8 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-01-04 EP disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 US disclosed
US-20040214841-A1 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO 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 (4 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 PRMT5 201/4885YAP1 3089/4885L3MBTL1 1899/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 PRMT5 194/4885YAP1 4393/4885L3MBTL1 2150/4885
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG PRMT5 108/4885YAP1 4790/4885L3MBTL1 414/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 PRMT5 201/4885YAP1 3089/4885L3MBTL1 1899/4885

“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.