SCHEMBL810445

SCHEMBL810445

CC(C)c1ccc2c(Nc3cc(Cl)ccc3Oc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
AKT2 P31751 1/20 0.38
KDR P35968 5/20 0.37
RET P07949 3/20 0.37
KIF5B P33176 3/20 0.37
BRD4 O60885 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
SRC P12931 1/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
EPHB2 P29323 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL811538 0.89 PIM1 (0.41) PIM1AKT2KDRRETKIF5B
SCHEMBL13274116 0.87 PIM1 (0.38) PIM1AKT2KDRRETKIF5B
SCHEMBL811180 0.86 EIF4E (0.38) PIM1AKT2
SCHEMBL810411 0.84 MEN1 (0.37) KDRSRCFGFR1FLT1MAPT
SCHEMBL811052 0.84 MAPT (0.47) PIM1AKT2KDRMAPTLMNA
SCHEMBL810554 0.83 PIM1 (0.45) PIM1AKT2KDRMAPT
SCHEMBL4973501 0.82 TTBK1 (0.39)
SCHEMBL1455033 0.81 AURKB (0.43) BRAFMAPT
SCHEMBL1454906 0.81 PGR (0.44) KDRBRAFMAPTLMNA
SCHEMBL811418 0.81 PIM1 (0.45) PIM1AKT2KDRMAPT

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.