SCHEMBL3772265

SCHEMBL3772265

CC(C)Oc1cc(CN2CCC(Nc3ncc(C#N)c(N)n3)CC2)cc(OC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.50
ACHE P22303 8/20 0.48
MAPT P10636 1/20 0.41
KCNH2 Q12809 3/20 0.40
BCHE P06276 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
BACE1 P56817 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
SCHEMBL3782701 0.94 SSTR5 (0.45) SSTR5ACHEMAPTKCNH2BCHE
SCHEMBL3769495 0.89 ACHE (0.49) SSTR5ACHEMAPTKCNH2BCHE
SCHEMBL3776622 0.84 ACHE (0.45) SSTR5ACHEKCNH2
SCHEMBL3782266 0.81 ACHE (0.47) SSTR5ACHEKCNH2
SCHEMBL3767692 0.81 ACHE (0.49) SSTR5ACHE
SCHEMBL3782511 0.81 SSTR5 (0.52) SSTR5ACHEKCNH2
SCHEMBL3779040 0.79 SSTR5 (0.55) SSTR5ACHEALDH1A1BACE1
SCHEMBL3784102 0.78 SSTR5 (0.57) SSTR5ACHEMAPTKCNH2BACE1
SCHEMBL3782690 0.78 SSTR5 (0.55) SSTR5ACHEKCNH2
SCHEMBL3777527 0.78 SSTR5 (0.48) SSTR5ACHE

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 3332/4885MAPT 3965/4885

“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.