SCHEMBL13239162

SCHEMBL13239162

Nc1cccc2cc(CO)nn12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
ADORA2A P29274 1/20 0.33
P2RX7 Q99572 1/20 0.32
NOTUM Q6P988 2/20 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
Hydrochloric Acid SCHEMBL31352071 0.81 TLR7 (0.32)
SCHEMBL4233345 0.79 CXCR2 (0.37) CXCR2CA1CA2CA9P2RX7
SCHEMBL13239157 0.76 HDAC4 (0.36) CA1CA2CA9P2RX7NOTUM
SCHEMBL13239154 0.75 FYN (0.32) CXCR2CA1CA2CA9NOTUM
SCHEMBL13218433 0.73
SCHEMBL259378 0.68 DRD2 (0.48)
SCHEMBL13861488 0.64 CYP1A2 (0.56) CA1CA2CA9P2RX7NOTUM
SCHEMBL1292950 0.63
SCHEMBL1292978 0.62 ADORA2A (0.42) CA1CA2CA9ADORA2A
SCHEMBL18304786 0.62 ADORA2A (0.53) ADORA2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 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 (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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 CXCR2 1537/4885CA1 4725/4885CA2 3825/4885

“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.