SCHEMBL13512876

SCHEMBL13512876

Cc1cc(Cc2cnc(-c3nc4c(N5CCN(C)C5=O)cc(N5CCOCC5)cn4c(=O)c3O)s2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.34
PRKDC P78527 2/20 0.33
PPARG P37231 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
P2RX7 Q99572 5/20 0.32
PIK3CA P42336 3/20 0.32
CYP3A4 P08684 2/20 0.32
PIK3CB P42338 2/20 0.32
BRD4 O60885 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL15334697 0.94 PARP1 (0.35) PARP1LMNAPRKDCPPARGHSD17B13
SCHEMBL1221366 0.94 PIK3CD (0.37) PARP1LMNAPRKDCPPARGP2RX7
SCHEMBL1222203 0.92 CYP1A2 (0.36) LMNAPIK3CACYP3A4PIK3CBPIK3CD
SCHEMBL13512868 0.86 PARP1 (0.35) PARP1PRKDCPPARGP2RX7PIK3CA
SCHEMBL1221729 0.83 CYP1A2 (0.36) LMNAPIK3CACYP3A4PIK3CBCCNA2
SCHEMBL12894428 0.83 P2RX7 (0.33) PARP1LMNAPPARGP2RX7PIK3CA
SCHEMBL10325890 0.83 GAA (0.32) PARP1KMT2APAK1
SCHEMBL13512875 0.82 LMNA (0.33) LMNAPIK3CACYP3A4PIK3CBBRD4
SCHEMBL1221731 0.82 BRD4 (0.33) PARP1LMNAP2RX7PIK3CACYP3A4
SCHEMBL12880545 0.82 LMNA (0.34) LMNAPRKDCPPARGP2RX7PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 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-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 PARP1 2356/4885LMNA 3403/4885PRKDC 3802/4885

“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.