SCHEMBL3458154

SCHEMBL3458154

O=C(O)c1cccn2nc(CCc3nnn[nH]3)cc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
SPR P35270 2/20 0.32
PARP1 P09874 1/20 0.30

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
SCHEMBL3460245 0.77 DHODH (0.41) DHODHSPRPARP1
SCHEMBL3222485 0.74 DHODH (0.40) DHODHSPRPARP1
SCHEMBL3459213 0.74 KDM5A (0.38) DHODHSPRPARP1
SCHEMBL3459262 0.71 DHODH (0.37) DHODHSPRPARP1
SCHEMBL7374036 0.67 KDM4E (0.37)
SCHEMBL8886936 0.67 DHODH (0.42) DHODHSPR
SCHEMBL2963981 0.66 KDM4E (0.36) SPR
SCHEMBL3458495 0.65 DHODH (0.40) DHODHSPRPARP1
SCHEMBL3034160 0.64 TP53 (0.35)
SCHEMBL8607018 0.63 ATP4A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 US claimed
US-20100266509-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. Lindbeck A/S (DK) 2010-10-21 US claimed
EP-2155744-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS Lundbeck, H., A/S (DK) 2010-02-24 EP claimed
WO-2008124153-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-10-16 WO claimed
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
EP-2592082-A1 Heteroaryl amide analogues as p2x7 antagonists H. Lundbeck A/S (DK) 2013-05-15 EP 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 DHODH 3234/4885SPR 3310/4885PARP1 3575/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 DHODH 3303/4885SPR 3276/4885PARP1 3674/4885

“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.