SCHEMBL2184246

SCHEMBL2184246

COc1cc(NC(C)=O)ccc1-c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.65
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ABL1 P00519 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
IMPDH2 P12268 2/20 0.48
PKM P14618 1/20 0.48
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL29788303 0.85 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL23524114 0.83 NPC1 (0.64) AAK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14635721 0.83 ALDH1A1 (0.52) AAK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2039321 0.82 PLAU (0.55) AAK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22187984 0.80 AAK1 (0.54) AAK1CYP11B1CYP11B2ABL1ALDH1A1
SCHEMBL22159615 0.80 MEN1 (0.68) AAK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8115604 0.79 ALDH1A1 (0.51) AAK1CYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL22159611 0.79 KDM4E (0.62) AAK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16371087 0.79 AAK1 (1.00) AAK1
SCHEMBL16371089 0.79 AAK1 (1.00) AAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 AAK1 1482/4885CYP11B1 2595/4885CYP11B2 3214/4885

“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.