SCHEMBL3774529

SCHEMBL3774529

CC(C)Oc1cc(CN2CCC(Nc3ncc(C(=O)O)c(C(F)(F)F)n3)CC2)cc(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.47
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
JAK1 P23458 3/20 0.37
FAAH O00519 1/20 0.37
JAK3 P52333 2/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
MCHR1 Q99705 1/20 0.36
CXCR3 P49682 1/20 0.36
CXCR4 P61073 1/20 0.36
ACKR3 P25106 1/20 0.36
ACHE P22303 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
SCHEMBL3778466 0.90 MCHR1 (0.44) SSTR5SIGMAR1FLT3TYRO3MERTK
SCHEMBL3778959 0.83 SSTR5 (0.55) SSTR5KCNH2
SCHEMBL3781098 0.82 SSTR5 (0.55) SSTR5KCNH2
SCHEMBL3782490 0.82 SSTR5 (0.49) SSTR5KCNH2
SCHEMBL3782631 0.80 KDM4E (0.52) SSTR5ALDH1A1
SCHEMBL3779022 0.79 SSTR5 (0.48) SSTR5KCNH2
SCHEMBL3781218 0.79 SSTR5 (0.58) SSTR5ALDH1A1KCNH2
SCHEMBL3770103 0.79 SSTR5 (0.53) SSTR5ALDH1A1KCNH2
SCHEMBL3772402 0.79 SSTR5 (0.53) SSTR5ALDH1A1KCNH2
SCHEMBL3775296 0.78 SSTR5 (0.54) SSTR5JAK1JAK3ACHEKCNH2

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 1/4885PDE5A 103/4885PDE9A 383/4885

“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.