SCHEMBL2807761

SCHEMBL2807761

CC(C)(C)OC(=O)NCc1ccc(Nc2ccccc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
TTK P33981 2/20 0.50
BRD4 O60885 1/20 0.49
HDAC1 Q13547 2/20 0.45
NSD2 O96028 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GAA P10253 2/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KDM4A O75164 1/20 0.40

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
SCHEMBL186470 0.81 KDM4E (0.51) TTKL3MBTL1GAATDP1KDM4E
SCHEMBL6959964 0.81 PTPN1 (0.57) NAMPTHDAC1NSD2L3MBTL1CTSS
SCHEMBL7249520 0.78 NAMPT (0.53) NAMPTBRD4HDAC1L3MBTL1MAPT
SCHEMBL31455874 0.78 MAPK1 (0.52) NAMPTBRD4HDAC1L3MBTL1GAA
SCHEMBL5855817 0.77 KCNA5 (0.48) NAMPTNSD2CTSSCTSKCTSL
SCHEMBL3274015 0.77 EPHX2 (0.58) NAMPTHDAC1L3MBTL1GAACTSS
SCHEMBL3180689 0.76 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1GAACTSK
SCHEMBL4774446 0.76 PDK1 (0.57) TTKL3MBTL1GAATDP1KDM4E
SCHEMBL30914163 0.76 PDK1 (0.57) TTKL3MBTL1GAATDP1KDM4E
SCHEMBL16239183 0.75 NAMPT (0.49) NAMPTBRD4HDAC1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NAMPT 3026/4885TTK 4588/4885BRD4 3545/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NAMPT 3026/4885TTK 4588/4885BRD4 3545/4885

“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.