SCHEMBL295966

SCHEMBL295966

Cc1ccc2c(Cl)nc(-c3ccccc3OC(=O)C(C)(C)C)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
ELANE P08246 4/20 0.39
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE2A O00408 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSPO P30536 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL183879 0.81 CYP1A2 (0.48) ELANETSHRSMN1; SMN2KMT2AMEN1
SCHEMBL297494 0.79 CYP1A2 (0.51) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL295717 0.77 GUSB (0.48) ELANE
SCHEMBL183759 0.76 KMT2A (0.52) GRM2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL16239664 0.70 ELANE (0.67) ELANELMNAMAPTNPSR1
SCHEMBL3910814 0.70 ELANE (0.58) ELANETSHRSMN1; SMN2KMT2AMEN1
SCHEMBL16885076 0.68 GRM2 (0.39) GRM2ELANESMN1; SMN2KMT2ALMNA
SCHEMBL7978070 0.68 AMY1A (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL183703 0.68 PTGES (0.39) GRM2PDE10A
SCHEMBL1623051 0.67 DHPS (0.42) LMNAMAPTPDE10A

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 GRM2 2284/4885ELANE 4826/4885TSHR 4653/4885

“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.