SCHEMBL3770087

SCHEMBL3770087

CC(C)Oc1cc(CN2CCC(Nc3nccc(O)n3)CC2)cc(OC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.56
ACHE P22303 11/20 0.46
BACE1 P56817 8/20 0.46
FAAH O00519 2/20 0.41
CXCR4 P61073 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3782674 0.86 SSTR5 (0.60) SSTR5ACHEBACE1FAAHALDH1A1
SCHEMBL3774885 0.85 SSTR5 (0.52) SSTR5ACHEBACE1FAAHALDH1A1
SCHEMBL3782984 0.81 SSTR5 (0.59) SSTR5ACHEBACE1ALDH1A1
SCHEMBL3771840 0.80 SSTR5 (0.58) SSTR5ACHEBACE1ALDH1A1
SCHEMBL1748228 0.80 SSTR5 (0.56) SSTR5ACHEBACE1FAAHHRH3
SCHEMBL3787453 0.80 SSTR5 (0.59) SSTR5ACHEBACE1
SCHEMBL1870580 0.79 SSTR5 (0.56) SSTR5ACHEBACE1FAAHALDH1A1
SCHEMBL3779040 0.79 SSTR5 (0.55) SSTR5ACHEBACE1FAAHALDH1A1
SCHEMBL3781556 0.79 SSTR5 (0.58) SSTR5ACHEBACE1
SCHEMBL2420486 0.78 SSTR5 (0.59) SSTR5ACHEHRH3

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 4 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
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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 1/4885ACHE 3332/4885BACE1 2968/4885

“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.