SCHEMBL3781618

SCHEMBL3781618

CCOc1cc(CN2CCC(c3cccc4nc(N)nc(N)c34)CC2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.53
HRH1 P35367 2/20 0.53
HTR2B P41595 1/20 0.53
DCPS Q96C86 2/20 0.52
DHFR P00374 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SLC2A1 P11166 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 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
SCHEMBL3776629 0.89 DCPS (0.61) SSTR5HRH1HTR2BDCPSDHFR
SCHEMBL3774415 0.86 SSTR5 (0.47) SSTR5HRH1HTR2BDCPSDHFR
SCHEMBL1748099 0.81 SSTR5 (0.49) SSTR5HRH1HTR2BKMT2AKCNH2
Ammonia Solution, Strong SCHEMBL3557314 0.77 SSTR5 (0.51) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL3975986 0.76 ALDH1A1 (0.50) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL2165637 0.75 DCPS (0.72) DCPSDHFR
SCHEMBL1748416 0.74 ALDH1A1 (0.58) SSTR5HRH1HTR2BKMT2AKDM4E
SCHEMBL2418407 0.74 SSTR5 (0.53) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL1874019 0.74 SSTR5 (0.47) SSTR5HRH1HTR2BKMT2AKCNH2
SCHEMBL1748158 0.72 SSTR5 (0.61) SSTR5HRH1HTR2BKCNH2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SSTR5 1/4885HRH1 140/4885HTR2B 106/4885

“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.