SCHEMBL3782984

SCHEMBL3782984

Cc1cc(C)nc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.59
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
CXCR3 P49682 2/20 0.39
PDE2A O00408 2/20 0.39
ACHE P22303 5/20 0.38
BACE1 P56817 2/20 0.38
ROCK2 O75116 1/20 0.38
APP P05067 1/20 0.38
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL4227836 0.94 SSTR5 (0.54) SSTR5ALDH1A1KDM1AEHMT2RCOR1
SCHEMBL3771840 0.87 SSTR5 (0.58) SSTR5ALDH1A1KDM1AEHMT2RCOR1
SCHEMBL3782674 0.85 SSTR5 (0.60) SSTR5ALDH1A1ACHEBACE1HRH1
SCHEMBL3769476 0.85 SSTR5 (0.50) SSTR5ACHEBACE1HRH1HTR2B
SCHEMBL1748820 0.84 SSTR5 (0.55) SSTR5ALDH1A1CXCR3PDE2AACHE
SCHEMBL4230769 0.82 SSTR5 (0.53) SSTR5ALDH1A1KDM1AEHMT2RCOR1
SCHEMBL3779040 0.82 SSTR5 (0.55) SSTR5ALDH1A1ACHEBACE1ROCK2
SCHEMBL3770087 0.81 SSTR5 (0.56) SSTR5ALDH1A1ACHEBACE1
SCHEMBL3772004 0.81 SSTR5 (0.52) SSTR5ALDH1A1KDM1AEHMT2RCOR1
SCHEMBL1870580 0.80 SSTR5 (0.56) SSTR5ALDH1A1ACHEBACE1ROCK2

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 1/4885ALDH1A1 2891/4885KDM1A 4418/4885

“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.