SCHEMBL3459056

SCHEMBL3459056

Nc1cccn2nc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
SPR P35270 1/20 0.40
RPA1 P27694 1/20 0.37
DHODH Q02127 1/20 0.36
PARP1 P09874 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAP4K4 O95819 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 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
SCHEMBL12756983 0.80 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRRPA1DHODH
SCHEMBL29079139 0.80 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRRPA1DHODH
SCHEMBL25372948 0.80 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRRPA1KMT2A
SCHEMBL3460031 0.78 SPR (0.47) SPRALDH1A1KDM4EKMT2AMAPT
SCHEMBL1665456 0.78 APOBEC3A (0.46) APOBEC3AAPOBEC3GSPRRPA1DHODH
SCHEMBL18372931 0.78 APOBEC3A (0.46) APOBEC3AAPOBEC3GSPRRPA1DHODH
Trifluoroacetic Acid SCHEMBL30680968 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1NPC1RAB9A
SCHEMBL3461122 0.77 APOBEC3A (0.41) APOBEC3AAPOBEC3GRPA1ALDH1A1KDM4E
SCHEMBL22148137 0.76 CA12 (0.46) APOBEC3AAPOBEC3GSPRRPA1KDM4E
SCHEMBL28410772 0.76 APOBEC3A (0.45) APOBEC3AAPOBEC3GSPRRPA1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 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 APOBEC3A 1914/4885APOBEC3G 2268/4885SPR 3310/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 APOBEC3A 1954/4885APOBEC3G 2267/4885SPR 3276/4885

“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.