SCHEMBL2748969

SCHEMBL2748969

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

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.82
AURKA O14965 13/20 0.82
TEK Q02763 13/20 0.82
MET P08581 12/20 0.82
AURKB Q96GD4 9/20 0.82
PDGFRA P16234 1/20 0.68
LCK P06239 9/20 0.67
LYN P07948 3/20 0.67
ABL1 P00519 2/20 0.67
CYP3A4 P08684 2/20 0.60
FGR P09769 1/20 0.60
CYP2D6 P10635 1/20 0.60
FLT1 P17948 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
SCHEMBL4548966 0.90 KDR (1.00) KDRAURKATEKMETAURKB
SCHEMBL2748242 0.90 KDR (0.80) KDRAURKATEKMETAURKB
SCHEMBL2747032 0.90 KDR (0.82) KDRAURKATEKMETAURKB
Hydrochloric Acid SCHEMBL2746794 0.89 KDR (0.81) KDRAURKATEKMETAURKB
SCHEMBL5774867 0.88 KDR (0.83) KDRAURKATEKMETAURKB
SCHEMBL6316909 0.88 KDR (0.64) KDRAURKATEKMETAURKB
SCHEMBL2748193 0.87 KDR (0.68) KDRAURKATEKMETAURKB
SCHEMBL2746823 0.87 KDR (0.84) KDRAURKATEKMETAURKB
SCHEMBL3754606 0.87 KDR (0.64) KDRAURKATEKMETAURKB
SCHEMBL5771855 0.86 KDR (0.84) KDRAURKATEKMETAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 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-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
EP-1660503-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2006-05-31 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. 2005-03-31 US disclosed
WO-2005021553-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 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 (4 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 354/4885AURKA 4148/4885TEK 184/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885TEK 184/4885
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents CCNA1, CCNA2, CCNT1 KDR 30/4885AURKA 2306/4885TEK 313/4885
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC5 KDR 2729/4885AURKA 420/4885TEK 2922/4885

“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.