SCHEMBL3776622

SCHEMBL3776622

CCOc1cc(CN2CCC(Nc3ncc(C#N)c(N)n3)CC2)ccc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
SSTR5 P35346 18/20 0.45
HRH1 P35367 4/20 0.45
HTR2B P41595 2/20 0.45
KCNH2 Q12809 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 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
SCHEMBL3787336 0.93 SSTR5 (0.45) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3775715 0.91 SSTR5 (0.55) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3782690 0.89 SSTR5 (0.55) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3776125 0.88 SSTR5 (0.56) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3776318 0.87 SSTR5 (0.55) ACHESSTR5HRH1HTR2BCDK1
SCHEMBL3784102 0.85 SSTR5 (0.57) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3767692 0.85 ACHE (0.49) ACHESSTR5HRH1HTR2BCDK1
SCHEMBL3782511 0.85 SSTR5 (0.52) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3782266 0.85 ACHE (0.47) ACHESSTR5HRH1HTR2BKCNH2
SCHEMBL3772265 0.84 SSTR5 (0.50) ACHESSTR5KCNH2

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 3 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
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 ACHE 3332/4885SSTR5 1/4885HRH1 140/4885

“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.