SCHEMBL5124152

SCHEMBL5124152

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(-c4ccccn4)s3)c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 7/20 0.51
BRAF P15056 5/20 0.47
RAF1 P04049 3/20 0.47
KDR P35968 4/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
F10 P00742 1/20 0.44
RET P07949 1/20 0.41

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
SCHEMBL4111471 0.90 AKT3 (0.46) AKT3BRAFRAF1HDAC1HDAC3
SCHEMBL3985916 0.87 BRAF (0.51) AKT3BRAFRAF1KDRRET
SCHEMBL5124353 0.85 KDM4E (0.56) BRAFRAF1KDRHDAC1HDAC3
SCHEMBL14273322 0.84 AKT3 (0.51) AKT3HDAC1HDAC3HDAC4HDAC7
SCHEMBL14266590 0.82 KDR (0.53) BRAFRAF1KDRHDAC1HDAC3
SCHEMBL3986441 0.79 RAB9A (0.55) BRAFRAF1KDR
SCHEMBL3986457 0.79 NPC1 (0.56) BRAFRAF1KDR
SCHEMBL3988798 0.79 BRAF (0.48) BRAFRAF1KDR
SCHEMBL3989052 0.78 BRAF (0.49) BRAFRAF1KDRRET
SCHEMBL3992512 0.78 CA1 (0.54) BRAFRAF1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 AKT3 553/4885BRAF 242/4885RAF1 251/4885

“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.