SCHEMBL3682265

SCHEMBL3682265

CCOC(=O)c1cc2ccccc2n1Cc1nccn1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 5/20 0.61
NOD1 Q9Y239 5/20 0.61
KDM4E B2RXH2 6/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
F10 P00742 2/20 0.55
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
SRC P12931 1/20 0.45
MTNR1A P48039 1/20 0.44

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
SCHEMBL3683058 0.85 CCR2 (0.59) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL4798323 0.78 NOD2 (0.85) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL3259707 0.78 NOD2 (0.71) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL6752352 0.77 KDM4E (0.71) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL28669136 0.77 NOD2 (0.70) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL7424288 0.76 NOD2 (0.69) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL18322286 0.76 KDM4E (0.73) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL30489155 0.76 KDM4E (0.73) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL13742183 0.76 KDM4E (0.70) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL4215637 0.76 KDM4E (0.70) NOD2NOD1KDM4ECRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A NOD2 39/4885NOD1 71/4885KDM4E 4055/4885

“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.