SCHEMBL811734

SCHEMBL811734

Cc1ccc2c(Nc3cc(C=Cc4ccccc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.64
AKT2 P31751 1/20 0.64
KDR P35968 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL811733 1.00 PIM1 (0.64) PIM1AKT2KDRTP53MAPT
SCHEMBL811634 0.93 PIM1 (0.55) PIM1AKT2KDRMAPTSMN1; SMN2
SCHEMBL811635 0.93 PIM1 (0.55) PIM1AKT2KDRMAPTSMN1; SMN2
SCHEMBL811431 0.85 PIM1 (0.66) PIM1AKT2KDR
SCHEMBL811387 0.84 PIM1 (0.65) PIM1AKT2
SCHEMBL811087 0.84 PIM1 (0.65) PIM1AKT2KDR
SCHEMBL810708 0.84 PIM1 (0.69) PIM1AKT2KDRSMN1; SMN2
SCHEMBL810532 0.83 PIM1 (0.79) PIM1AKT2KDRTP53MAPT
SCHEMBL810444 0.82 PIM1 (0.63) PIM1AKT2KDRTP53MAPT
SCHEMBL1455808 0.81 PIM1 (0.60) PIM1AKT2

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 3903/4885KDR 3293/4885

“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.