SCHEMBL3774524

SCHEMBL3774524

CC(C)Oc1cc(CN2CCC(Nc3ncc(-c4cccnc4)cn3)CC2)cc(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.53
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GBA1 P04062 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMO Q99835 1/20 0.42
BACE1 P56817 2/20 0.39
FAAH O00519 1/20 0.39
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
DRD4 P21917 2/20 0.38
ACHE P22303 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 3/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3787453 0.90 SSTR5 (0.59) SSTR5LMNAMAPTBACE1ACHE
SCHEMBL3767936 0.89 SSTR5 (0.46) SSTR5LMNASMN1; SMN2GBA1POLB
SCHEMBL4225976 0.85 SSTR5 (0.54) SSTR5BACE1ACHESIGMAR1ROCK2
SCHEMBL3782674 0.85 SSTR5 (0.60) SSTR5LMNASMN1; SMN2BACE1FAAH
SCHEMBL3785452 0.85 SSTR5 (0.52) SSTR5BACE1ACHESIGMAR1
SCHEMBL1876748 0.84 SSTR5 (0.58) SSTR5LMNASMN1; SMN2GBA1POLB
SCHEMBL3781183 0.84 SSTR5 (0.52) SSTR5BACE1FAAHACHESIGMAR1
SCHEMBL4235014 0.84 SSTR5 (0.41) SSTR5LMNASMN1; SMN2GBA1POLB
SCHEMBL3779040 0.82 SSTR5 (0.55) SSTR5BACE1FAAHACHESIGMAR1
SCHEMBL4235018 0.81 SSTR5 (0.41) SSTR5LMNASMN1; SMN2FAAHDRD4

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 1/4885LMNA 3674/4885SMN1; SMN2 3802/4885

“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.