SCHEMBL810146

SCHEMBL810146

Cc1ccc(C)c(Sc2ccc(Nc3ncnc4nc(SCc5ccccc5)ncc34)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 6/20 0.36
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 3/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SCN9A Q15858 1/20 0.35
EGFR P00533 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GCK P35557 2/20 0.34
PIM1 P11309 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
SCHEMBL811281 0.86 PIM1 (0.43) METAP2HTTMAPK1KDM4EMAPT
SCHEMBL811189 0.85 PIM1 (0.42) METAP2HTTMAPK1KDM4EMAPT
SCHEMBL810498 0.83 PIM1 (0.41) HTTMAPTLMNATP53RXFP1
SCHEMBL5135613 0.82 SCN9A (0.35) METAP2KDM4EMAPTALDH1A1JAK2
SCHEMBL811196 0.81 PIM1 (0.45) METAP2HTTMAPK1KDM4EMAPT
SCHEMBL810145 0.81 PIM1 (0.39) METAP2HTTMAPK1KDM4EMAPT
SCHEMBL811092 0.79 MAPT (0.40) METAP2HTTKDM4EMAPTALDH1A1
SCHEMBL810905 0.78 PIM1 (0.42) METAP2HTTKDM4EMAPTALDH1A1
SCHEMBL810994 0.77 PIM1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL811090 0.76 LMNA (0.39) HTTMAPK1MAPTLMNATP53

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 METAP2 3411/4885HTT 472/4885MAPK1 2917/4885

“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.