SCHEMBL3750231

SCHEMBL3750231

COc1cc2ncnc(Oc3ccc4c(C(=O)Nc5ccc(F)cc5N)cccc4c3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.68
MET P08581 5/20 0.67
AURKA O14965 4/20 0.67
TEK Q02763 4/20 0.67
AURKB Q96GD4 4/20 0.67
PDGFRA P16234 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL3758634 0.93 KDR (0.71) KDRMETAURKATEKAURKB
SCHEMBL3757415 0.91 KDR (0.69) KDRMETAURKATEKAURKB
SCHEMBL3754142 0.90 KDR (0.68) KDRMETAURKATEKAURKB
SCHEMBL3751773 0.90 KDR (0.78) KDRMETAURKATEKAURKB
SCHEMBL3755654 0.90 KDR (0.61) KDRMETAURKATEKAURKB
SCHEMBL3760267 0.90 KDR (0.72) KDRMETAURKATEKAURKB
SCHEMBL3758572 0.90 KDR (0.65) KDRMETAURKATEKAURKB
SCHEMBL7783938 0.88 KDR (0.59) KDRMETAURKATEKAURKB
SCHEMBL3759699 0.88 KDR (0.79) KDRMETAURKATEKAURKB
SCHEMBL2746953 0.83 KDR (0.85) KDRMETAURKATEKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377492-A Pharmaceutical composition containing protein kinase inhibitor and medical application thereof 深圳微芯生物科技股份有限公司 2024-01-09 CN claimed
CN-117377492-A Pharmaceutical composition containing protein kinase inhibitor and medical application thereof 深圳微芯生物科技股份有限公司 2024-01-09 CN 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-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-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

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-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC5 KDR 2729/4885MET 2038/4885AURKA 420/4885

“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.