Sugi Predict

Sugi Predict / Compounds / SCHEMBL5239456

SCHEMBL5239456

SCHEMBL5239456

CN(C)CCN(C)c1ccc([N+](=O)[O-])c(CN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL10604334 0.83 MAPT (0.60) MAPTNPSR1CDC25CCYP3A4TSHR
SCHEMBL3381659 0.82 TDP1 (0.49) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL30419970 0.82 TDP1 (0.49) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL16003231 0.81 MAPT (0.66) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL16003471 0.77 ALDH1A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6202561 0.77 MAPT (0.42) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL30871973 0.77 ALDH1A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5278989 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL29740665 0.75 MAPT (0.72) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL5239450 0.74 ALDH1A1 (0.35) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2

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
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 — — EP disclosed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 — — US disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 — — EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 — — US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 — — WO 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD MAPT 4168/4885ALDH1A1 271/4885NPSR1 4505/4885

“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.