SCHEMBL3780652

SCHEMBL3780652

COc1cc2nc(Cl)nc(N3CCOCC3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 0.76
PDE10A Q9Y233 1/20 0.64
HPGD P15428 1/20 0.57
HIF1A Q16665 1/20 0.57
PIK3CD O00329 2/20 0.54
PIK3R1 P27986 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
PIK3R5 Q8WYR1 2/20 0.54
APP P05067 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
KDM4E B2RXH2 1/20 0.49
STAT6 P42226 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NSD2 O96028 1/20 0.49
NTSR1 P30989 3/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL16172467 0.90 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1PDE10AHPGDHIF1A
SCHEMBL30455285 0.87 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1ACHEKDM4ESTAT6
SCHEMBL4092118 0.87 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1ACHEKDM4ESTAT6
SCHEMBL3318391 0.86 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1ACHEKDM4ESTAT6
SCHEMBL7267813 0.82 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1PDE10AHPGDHIF1A
SCHEMBL27339271 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1PDE10AHPGDHIF1A
SCHEMBL3527723 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1PDE10AHPGDAPP
SCHEMBL4120999 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1PDE10AHPGDHIF1A
SCHEMBL9132869 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4ESTAT6NPSR1
SCHEMBL7268618 0.78 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1PDE10AHPGDHIF1A

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
CN-104311494-A m-(4-morpholinyl-2-quinazolinyl) benzamide compounds and synthetic method and application thereof UNIV XI AN JIAOTONG 2015-01-28 CN claimed
CN-104311494-A m-(4-morpholinyl-2-quinazolinyl) benzamide compounds and synthetic method and application thereof UNIV XI AN JIAOTONG 2015-01-28 CN disclosed
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 SMN1; SMN2 3802/4885ALDH1A1 2891/4885PDE10A 443/4885

“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.