SCHEMBL810039

SCHEMBL810039

CC(C)c1ccc2c(Nc3cc(OCc4ccc(Br)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.62
AKT2 P31751 1/20 0.62
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KDR P35968 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
HDAC3 O15379 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK2 P24941 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL810356 0.93 PIM1 (0.58) PIM1AKT2MEN1MAPTKDR
SCHEMBL811444 0.92 PIM1 (0.58) PIM1AKT2MEN1MAPTKDR
SCHEMBL810944 0.92 PIM1 (0.64) PIM1AKT2MEN1MAPTKDR
SCHEMBL810694 0.91 PIM1 (0.61) PIM1AKT2MEN1MAPTKDR
SCHEMBL810232 0.90 PIM1 (0.57) PIM1AKT2EGFR
SCHEMBL810792 0.90 PIM1 (0.56) PIM1AKT2MEN1MAPTKDR
SCHEMBL810522 0.89 PIM1 (0.77) PIM1AKT2MEN1MAPTKDR
SCHEMBL810258 0.88 PIM1 (0.55) PIM1AKT2EGFR
SCHEMBL811693 0.87 PIM1 (0.50) PIM1AKT2EGFR
SCHEMBL810554 0.87 PIM1 (0.45) PIM1AKT2MEN1MAPTKDR

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 4 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
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US 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 3903/4885MEN1 4571/4885

“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.