SCHEMBL3782701

SCHEMBL3782701

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.45
ACHE P22303 5/20 0.44
MAPT P10636 1/20 0.38
KCNH2 Q12809 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CDK1 P06493 3/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35

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
SCHEMBL3772265 0.94 SSTR5 (0.50) SSTR5ACHEMAPTKCNH2IRAK4
SCHEMBL3769495 0.83 ACHE (0.49) SSTR5ACHEMAPTKCNH2CHRM2
SCHEMBL3776622 0.80 ACHE (0.45) SSTR5ACHEKCNH2CDK1CDK4
SCHEMBL3781183 0.80 SSTR5 (0.52) SSTR5ACHEBCHE
SCHEMBL3772004 0.78 SSTR5 (0.52) SSTR5ACHEALDH1A1
SCHEMBL3785479 0.77 SSTR5 (0.46) SSTR5ACHEALDH1A1
SCHEMBL3767692 0.77 ACHE (0.49) SSTR5ACHECDK1CDK4CCND1
SCHEMBL3782511 0.77 SSTR5 (0.52) SSTR5ACHEKCNH2CDK1CDK4
SCHEMBL3782266 0.77 ACHE (0.47) SSTR5ACHEKCNH2CDK1CDK4
SCHEMBL1874661 0.75 SSTR5 (0.50) SSTR5ALDH1A1

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.