SCHEMBL295717

SCHEMBL295717

Cc1ccc2c(=O)[nH]c(-c3ccccc3OC(=O)C(C)(C)C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 7/20 0.48
▸ PDE5A O76074 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TNKS O95271 2/20 0.43
▸ PARP1 P09874 2/20 0.43
▸ TNKS2 Q9H2K2 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ELANE P08246 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
SCHEMBL183953 0.83 GUSB (0.59) GUSBPDE5ANPC1RAB9ATNKS
SCHEMBL296062 0.78 GUSB (0.70) GUSBPDE5ANPC1RAB9ATNKS
SCHEMBL7389024 0.77 AMY1A (0.54) GUSBPDE5ANPC1RAB9AKDM4E
SCHEMBL295966 0.77 GRM2 (0.42) ELANE
SCHEMBL7396331 0.77 KDM4E (0.53) PDE5ANPC1RAB9AKDM4EHPGD
SCHEMBL7978070 0.75 AMY1A (0.47) GUSBNPC1RAB9AKDM4E
SCHEMBL297069 0.74 GUSB (0.67) GUSBPDE5ANPC1RAB9ATNKS
SCHEMBL7392370 0.73 AMY1A (0.46) PDE5ANPC1RAB9AKDM4EELANE
SCHEMBL7393381 0.73 PDE5A (0.50) GUSBPDE5AKDM4EHPGDELANE
SCHEMBL939999 0.72 CFTR (0.46) GUSBNPC1RAB9AKDM4EHPGD

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 7 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
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 4518/4885PDE5A 384/4885NPC1 1703/4885

“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.

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