SCHEMBL13112337

SCHEMBL13112337

CCOC(=O)C1=C(CN)NC=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
PYGM P11217 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 4/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL9513823 0.81 MEN1 (0.51) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL21950917 0.74 KDM4E (0.53) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL7324854 0.67 TSHR (0.42) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL30079717 0.65 TSHR (0.43) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL11317428 0.65 KMT2A (0.40) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL27136141 0.65 MEN1 (0.44) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL5608026 0.64 KDM4E (0.59) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL9548196 0.64 KDM4E (0.72) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL9671898 0.64 PYGM (0.43) MEN1KMT2AMAPTALOX15PYGM
SCHEMBL21950875 0.64 KDM4E (0.42) MEN1KMT2AMAPTKDM4EALOX15

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-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US disclosed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 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 (2 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-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 MEN1 4573/4885KMT2A 3217/4885MAPT 4232/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 MEN1 4648/4885KMT2A 3054/4885MAPT 4377/4885

“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.