SCHEMBL3777231

SCHEMBL3777231

CCOc1cc(CN2CCC(Nc3nc(OC)nc(N4CCSCC4)n3)CC2)cc(OCC)c1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.50
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 1/20 0.45
CNR2 P34972 1/20 0.45
ATM Q13315 1/20 0.44
HRH1 P35367 2/20 0.41
HTR2B P41595 1/20 0.41
EHMT2 Q96KQ7 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4233177 0.95 SSTR5 (0.46) SSTR5HTTSMN1; SMN2NPSR1KCNH2
SCHEMBL3775646 0.91 SSTR5 (0.46) SSTR5HTTSMN1; SMN2NPSR1CNR2
SCHEMBL3774425 0.90 SSTR5 (0.51) SSTR5KCNH2CNR2EHMT2
SCHEMBL3770008 0.88 SSTR5 (0.59) SSTR5KCNH2HRH1HTR2B
SCHEMBL4230321 0.86 SSTR5 (0.47) SSTR5KCNH2CNR2EHMT2
SCHEMBL4756327 0.86 SSTR5 (0.54) SSTR5KCNH2HRH1HTR2B
SCHEMBL3785338 0.85 SSTR5 (0.55) SSTR5KCNH2HRH1HTR2B
SCHEMBL4234199 0.83 SSTR5 (0.54) SSTR5KCNH2HRH1HTR2B
SCHEMBL3782763 0.81 SSTR5 (0.60) SSTR5KCNH2HRH1HTR2B
SCHEMBL3773095 0.81 SSTR5 (0.51) SSTR5KCNH2HRH1HTR2B

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 1/4885HTT 2028/4885SMN1; SMN2 3802/4885

“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.