SCHEMBL296062

SCHEMBL296062

Cc1ccc2c(=O)[nH]c(-c3ccccc3O)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GUSB P08236 9/20 0.70
KDM4E B2RXH2 3/20 0.70
HPGD P15428 3/20 0.70
HSD17B10 Q99714 2/20 0.55
TNKS O95271 2/20 0.51
PARP1 P09874 2/20 0.51
TNKS2 Q9H2K2 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL4090569 0.89 GUSB (0.70) GUSBKDM4EHPGDHSD17B10TNKS
SCHEMBL30259689 0.83 GUSB (1.00) GUSBKDM4EHPGDHSD17B10TNKS
SCHEMBL29890314 0.83 GUSB (1.00) GUSBKDM4EHPGDHSD17B10TNKS
SCHEMBL296097 0.83 GUSB (1.00) GUSBKDM4EHPGDHSD17B10TNKS
SCHEMBL183953 0.82 GUSB (0.59) GUSBTNKSPARP1TNKS2NPC1
SCHEMBL28008970 0.80 TNKS (0.73) GUSBKDM4EHPGDHSD17B10TNKS
SCHEMBL16885077 0.79 GUSB (0.46) GUSBKDM4EHPGDTNKSPARP1
SCHEMBL295717 0.78 GUSB (0.48) GUSBKDM4EHPGDTNKSPARP1
SCHEMBL28948384 0.77 TNKS (0.72) GUSBKDM4EHPGDHSD17B10TNKS
SCHEMBL5508220 0.76 KDM4E (0.55) GUSBKDM4EHPGDHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828150-B1 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES VERTEX PHARMA (US) 2012-03-14 EP disclosed
EP-1828150-B1 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES VERTEX PHARMA (US) 2012-03-14 EP disclosed
EP-2366696-A1 Process for producing 4-aminoquinazolines Vertex Pharmaceuticals Incorporated (US) 2011-09-21 EP disclosed
EP-2366696-A1 Process for producing 4-aminoquinazolines Vertex Pharmaceuticals Incorporated (US) 2011-09-21 EP disclosed
CN-101111487-A Processes for producing 4-aminoquinazolines VERTEX PHARMA (US) 2008-01-23 CN disclosed
EP-1828150-A2 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES Vertex Pharmaceuticals Incorporated (US) 2007-09-05 EP disclosed
US-20060166963-A1 Processes for producing 4-aminoquinazolines VERTEX PHARMACEUTICALS INCORPORATED 2006-07-27 US disclosed
WO-2006066044-A2 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-22 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 (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-20060166963-A1 Processes for producing 4-aminoquinazolines CACNA1I, CACNA1G, CACNA1B GUSB 4518/4885KDM4E 1377/4885HPGD 603/4885

“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.