SCHEMBL810954

SCHEMBL810954

Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.58
AKT2 P31751 1/20 0.58
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
EGFR P00533 4/20 0.35
POLB P06746 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
SCHEMBL13273834 0.91 PIM1 (0.58) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL811294 0.89 PIM1 (0.61) PIM1AKT2HTTMAPK1MAPT
SCHEMBL811431 0.89 PIM1 (0.66) PIM1AKT2HTTKDM4EHSD17B10
SCHEMBL810712 0.89 PIM1 (0.48) PIM1AKT2HTTKDM4EMAPK1
SCHEMBL13306076 0.88 PIM1 (0.56) PIM1AKT2HTTMAPTLMNA
SCHEMBL810890 0.88 PIM1 (0.49) PIM1AKT2HTTKDM4EMAPK1
SCHEMBL810548 0.87 PIM1 (0.49) PIM1AKT2HTTKDM4EMAPK1
SCHEMBL811634 0.87 PIM1 (0.55) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL811635 0.87 PIM1 (0.55) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL13273828 0.86 PIM1 (0.54) PIM1AKT2MAPTLMNASMN1; 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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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.