SCHEMBL3776977

SCHEMBL3776977

COc1nc(NC2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)nc(OC)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
MAPK1 P28482 2/20 0.60
HSD17B10 Q99714 1/20 0.60
APP P05067 1/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
SSTR5 P35346 7/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
DNMT3A Q9Y6K1 1/20 0.53
EHMT2 Q96KQ7 1/20 0.53
BACE1 P56817 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4231822 0.95 ACHE (0.55) ACHEMAPK1HSD17B10APPNPC1
SCHEMBL3773209 0.88 SSTR5 (0.64) ACHESSTR5HRH1HTR2B
SCHEMBL3770016 0.86 SSTR5 (0.65) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3776416 0.85 SSTR5 (0.65) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3784276 0.85 APP (0.53) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3775556 0.85 SSTR5 (0.59) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3783572 0.85 SSTR5 (0.65) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3772036 0.85 SSTR5 (0.59) SSTR5HRH1HTR2B
SCHEMBL3781601 0.81 EHMT2 (0.62) APPNPC1RAB9ADNMT3AEHMT2
SCHEMBL4231747 0.81 APP (0.49) ACHEAPPSSTR5HRH1HTR2B

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 ACHE 3332/4885MAPK1 2179/4885HSD17B10 4450/4885

“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.