SCHEMBL811538

SCHEMBL811538

Cc1ccc(Oc2ccc(O)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
AKT2 P31751 1/20 0.41
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
KDR P35968 5/20 0.36
RET P07949 4/20 0.36
KIF5B P33176 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 2/20 0.34
GAK O14976 1/20 0.34
RIPK2 O43353 1/20 0.34
STK10 O94804 1/20 0.34
FLT3 P36888 1/20 0.34
JAK3 P52333 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
SCHEMBL811139 0.91 NCOA1 (0.44) HTTMAPTKDRMEN1KMT2A
SCHEMBL810445 0.89 PIM1 (0.38) PIM1AKT2MAPTKDRRET
SCHEMBL1454668 0.88 KCNMA1 (0.37) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13274116 0.88 PIM1 (0.38) PIM1AKT2MAPTKDRRET
SCHEMBL811180 0.87 EIF4E (0.38) PIM1AKT2EGFRTTBK1TTBK2
SCHEMBL811052 0.85 MAPT (0.47) PIM1AKT2HTTMAPTKDR
SCHEMBL810554 0.84 PIM1 (0.45) PIM1AKT2HTTMAPTKDR
SCHEMBL4973501 0.82 TTBK1 (0.39) EGFRTTBK1TTBK2
SCHEMBL810261 0.82 PIM1 (0.40) PIM1AKT2HTTMAPTKDR
SCHEMBL1454906 0.81 PGR (0.44) MAPTKDRKDM4EALDH1A1SMN1; SMN2

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885HTT 472/4885

“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.