SCHEMBL3638935

SCHEMBL3638935

N#Cc1cccc2c1c(C(=O)NCC1(c3cccnc3)CCCCC1)cn2-c1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.51
IL1B P01584 1/20 0.41
SLC6A9 P48067 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL3691548 0.87 P2RX7 (0.54) P2RX7IL1BSLC6A9LMNAMEN1
SCHEMBL4536523 0.87 P2RX7 (0.63) P2RX7IL1BSLC6A9LMNAMEN1
SCHEMBL3645343 0.87 P2RX7 (0.54) P2RX7IL1BSLC6A9LMNA
SCHEMBL3646428 0.87 P2RX7 (0.64) P2RX7IL1BSLC6A9
SCHEMBL13706719 0.87 P2RX7 (0.55) P2RX7IL1BSLC6A9LMNAMEN1
SCHEMBL4532197 0.85 P2RX7 (0.51) P2RX7IL1BSLC6A9
SCHEMBL3647578 0.84 P2RX7 (0.59) P2RX7IL1BSLC6A9LMNAMEN1
SCHEMBL4531759 0.79 P2RX7 (0.54) P2RX7IL1BSLC6A9
SCHEMBL4531028 0.79 P2RX7 (0.60) P2RX7IL1BSLC6A9LMNAMEN1
SCHEMBL3688124 0.79 P2RX7 (0.58) P2RX7IL1BSLC6A9LMNA

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 6 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
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
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

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 5/4885IL1B 403/4885SLC6A9 2482/4885

“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.