SCHEMBL1455210

SCHEMBL1455210

O=C(Nc1ccccc1F)c1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3ncccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
AKT2 P31751 1/20 0.43
AURKA O14965 1/20 0.42
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 2/20 0.39
MAPT P10636 1/20 0.39
APOBEC3A P31941 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL1454720 0.89 PIM1 (0.44) PIM1AKT2AURKAMAPK14BRAF
SCHEMBL1455179 0.88 KCNQ3 (0.45) PIM1AKT2AURKAL3MBTL1ALDH1A1
SCHEMBL1454912 0.88 PIM1 (0.58) PIM1AKT2AURKARAB9ANPC1
SCHEMBL1454672 0.87 BRAF (0.48) PIM1AKT2AURKARAB9ANPC1
SCHEMBL1454471 0.86 PIM1 (0.42) PIM1AKT2MAPK14BRAF
SCHEMBL1455104 0.86 PIM1 (0.47) PIM1AKT2AURKAL3MBTL1ALDH1A1
SCHEMBL1454780 0.85 PIM1 (0.45) PIM1AKT2AURKAMEN1KMT2A
SCHEMBL1454182 0.84 NPC1 (0.42) PIM1AKT2RAB9ANPC1MAPT
SCHEMBL1455574 0.84 TP53 (0.51) PIM1AKT2KDM4ESMN1; SMN2MAPK14
SCHEMBL1454562 0.83 POLB (0.51) PIM1AKT2AURKAKDM4EPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885AURKA 2172/4885

“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.