SCHEMBL4364374

SCHEMBL4364374

COc1ccc(C2(CNC(=O)c3cn(-c4ncccn4)c4cccc(F)c34)CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.55
POLB P06746 1/20 0.48
IL1B P01584 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.46
KCNA3 P22001 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 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
SCHEMBL4536107 0.91 P2RX7 (0.64) P2RX7POLBIL1BMEN1KMT2A
SCHEMBL4358980 0.91 P2RX7 (0.46) P2RX7IL1BMEN1KMT2AALDH1A1
SCHEMBL4356543 0.91 P2RX7 (0.45) P2RX7IL1BMEN1KMT2AALDH1A1
SCHEMBL3747441 0.90 P2RX7 (0.61) P2RX7POLBIL1BMEN1KMT2A
SCHEMBL11024193 0.90 P2RX7 (0.53) P2RX7POLBIL1BMEN1KMT2A
SCHEMBL4540882 0.89 P2RX7 (0.47) P2RX7IL1B
SCHEMBL3645568 0.86 P2RX7 (0.58) P2RX7POLBIL1BMEN1KMT2A
SCHEMBL3647697 0.85 P2RX7 (0.59) P2RX7POLBIL1BMEN1KMT2A
SCHEMBL3689141 0.85 P2RX7 (0.46) P2RX7IL1B
SCHEMBL3645343 0.85 P2RX7 (0.54) P2RX7IL1BLMNA

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 claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
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
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

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 P2RX7 5/4885POLB 3520/4885IL1B 403/4885

“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.