SCHEMBL13790502

SCHEMBL13790502

COc1cc2ncnc(N3CCN(C)CC3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 1.00
BACE1 P56817 11/20 1.00
KDM1A O60341 1/20 0.74
PDE10A Q9Y233 1/20 0.72
AURKA O14965 3/20 0.65
ENPP1 P22413 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62

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
SCHEMBL11882354 0.94 ACHE (0.88) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL13529592 0.89 ACHE (0.80) ACHEBACE1KDM1APDE10AAURKA
SCHEMBL3873291 0.88 ACHE (0.78) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL5518977 0.87 ACHE (0.76) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL5525750 0.85 ACHE (0.74) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL25679271 0.85 ACHE (0.74) ACHEBACE1KDM1APDE10AAURKA
SCHEMBL20828299 0.85 TLR9 (0.77) ACHEBACE1KDM1A
SCHEMBL12255609 0.85 ACHE (0.73) ACHEBACE1PDE10AAURKAENPP1
SCHEMBL2389420 0.84 ACHE (0.72) ACHEBACE1PDE10AENPP1ALDH1A1
SCHEMBL27338891 0.84 ACHE (0.72) ACHEBACE1PDE10AAURKAENPP1

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-8552018-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-10-08 US disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-20090099165-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-04-16 US disclosed
US-20080051414-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-28 US disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 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 (3 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-20090099165-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ACHE 4778/4885BACE1 2284/4885KDM1A 835/4885
US-20080051414-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ACHE 4778/4885BACE1 2284/4885KDM1A 835/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ACHE 4778/4885BACE1 2284/4885KDM1A 835/4885

“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.