SCHEMBL1665456

SCHEMBL1665456

O=C(O)c1cc2c(CO)cccn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SPR P35270 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 3/20 0.37
CHRM1 P11229 2/20 0.36
TBXAS1 P24557 1/20 0.36
RPA1 P27694 1/20 0.36
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
DHODH Q02127 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL3459890 0.80 ADORA3 (0.48) SPRKDM4ETP53POLBMAPT
SCHEMBL24338066 0.80 PTGS2 (0.37) KDM4ETBXAS1BRD4BRD9BAZ2B
SCHEMBL18372931 0.78 APOBEC3A (0.46) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL12756983 0.78 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRKDM4ETP53
SCHEMBL3459056 0.78 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL25372948 0.78 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRTP53RPA1
SCHEMBL29079139 0.78 APOBEC3A (0.49) APOBEC3AAPOBEC3GSPRKDM4ECHRM1
SCHEMBL28410772 0.77 APOBEC3A (0.45) APOBEC3AAPOBEC3GSPRKDM4ERPA1
SCHEMBL544288 0.76 KDM4E (0.41) KDM4ETP53BRD4BRD9BAZ2B
SCHEMBL3217965 0.74 PDE4B (0.34) TP53BRD4BRD9BAZ2BBAZ2A

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO 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 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.