SCHEMBL810865

SCHEMBL810865

Cc1ccc2c(Nc3cc(NCc4ccco4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.58
AKT2 P31751 1/20 0.58
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 4/20 0.36

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
SCHEMBL810444 0.87 PIM1 (0.63) PIM1AKT2GAATP53MAPT
SCHEMBL811023 0.85 PIM1 (0.56) PIM1AKT2HPGDGAAKMT2A
SCHEMBL810679 0.85 PIM1 (0.58) PIM1AKT2KDM4EALDH1A1GAA
SCHEMBL811087 0.84 PIM1 (0.65) PIM1AKT2GAAKMT2AMEN1
SCHEMBL810855 0.84 PIM1 (0.64) PIM1AKT2ALDH1A1MAPTLMNA
SCHEMBL810627 0.84 PIM1 (0.61) PIM1AKT2HTT
SCHEMBL1454778 0.83 PIM1 (0.55) PIM1AKT2KDM4EALDH1A1GAA
SCHEMBL810885 0.83 PIM1 (0.56) PIM1AKT2GAAKMT2AMEN1
SCHEMBL811431 0.80 PIM1 (0.66) PIM1AKT2KDM4EGAAHSD17B10
SCHEMBL811387 0.79 PIM1 (0.65) PIM1AKT2GAAKMT2AMEN1

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 3903/4885KDM4E 1822/4885

“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.