SCHEMBL2748540

SCHEMBL2748540

COc1ccc2c(Oc3ccc4c(C(=O)Nc5nccs5)cccc4c3)ccnc2c1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.85
PDGFRA P16234 1/20 0.70
AURKA O14965 6/20 0.68
MET P08581 6/20 0.68
TEK Q02763 6/20 0.68
AURKB Q96GD4 4/20 0.67
CYP3A4 P08684 3/20 0.62
CYP2D6 P10635 1/20 0.62
LCK P06239 3/20 0.61
CSF1R P07333 1/20 0.60
BRAF P15056 1/20 0.60
FLT1 P17948 1/20 0.60
FGFR2 P21802 1/20 0.60
FLT4 P35916 1/20 0.60

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
SCHEMBL4548833 0.92 KDR (1.00) KDRAURKAMETTEKAURKB
SCHEMBL4548818 0.88 KDR (0.86) KDRAURKAMETTEKAURKB
SCHEMBL2746823 0.85 KDR (0.84) KDRPDGFRAAURKAMETTEK
SCHEMBL5774867 0.85 KDR (0.83) KDRPDGFRAAURKAMETTEK
SCHEMBL5771855 0.83 KDR (0.84) KDRPDGFRAAURKAMETTEK
SCHEMBL2746919 0.83 KDR (1.00) KDRPDGFRAAURKAMETTEK
Ibcasertib SCHEMBL29883432 0.82 PDGFRA (1.00) KDRPDGFRAAURKAMETTEK
Ibcasertib SCHEMBL29369945 0.82 PDGFRA (1.00) KDRPDGFRAAURKAMETTEK
Ibcasertib SCHEMBL3757428 0.82 PDGFRA (1.00) KDRPDGFRAAURKAMETTEK
SCHEMBL2748969 0.82 KDR (0.82) KDRPDGFRAAURKAMETTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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 (2 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885PDGFRA 49/4885AURKA 4148/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885PDGFRA 49/4885AURKA 4148/4885

“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.