SCHEMBL3775138

SCHEMBL3775138

CCOc1cc(CN2CCC(Nc3nc(-c4ccccc4F)c4cc(Cl)ccc4n3)CC2)cc(OCC)c1I

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.49
HRH1 P35367 3/20 0.48
HTR2B P41595 1/20 0.46
APP P05067 1/20 0.45
KDM1A O60341 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
NSD2 O96028 2/20 0.43
MCHR1 Q99705 1/20 0.42
SSTR1 P30872 1/20 0.42

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
SCHEMBL3781169 0.92 SSTR5 (0.53) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3777204 0.92 SSTR5 (0.59) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3782628 0.90 SSTR5 (0.47) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3781165 0.90 SSTR5 (0.59) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3781059 0.86 SSTR5 (0.60) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3781326 0.85 SSTR5 (0.58) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3782775 0.83 SSTR5 (0.59) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3781258 0.83 SSTR5 (0.59) SSTR5HRH1HTR2BAPPKDM1A
SCHEMBL3777309 0.82 SSTR5 (0.59) SSTR5HRH1HTR2BAPPKDM1A
Hydrochloric Acid SCHEMBL4232651 0.82 EHMT2 (0.40) SSTR5HRH1KDM1AEHMT2NSD2

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
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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.