SCHEMBL3405252

SCHEMBL3405252

CN(C)CCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.75
RAF1 P04049 12/20 0.69
HDAC3 O15379 6/20 0.67
HDAC4 P56524 6/20 0.67
HDAC1 Q13547 6/20 0.67
HDAC7 Q8WUI4 6/20 0.67
HDAC2 Q92769 6/20 0.67
HDAC10 Q969S8 6/20 0.67
HDAC11 Q96DB2 6/20 0.67
HDAC8 Q9BY41 6/20 0.67
HDAC6 Q9UBN7 6/20 0.67
HDAC9 Q9UKV0 6/20 0.67
HDAC5 Q9UQL6 6/20 0.67
GSK3B P49841 2/20 0.67
BRAF P15056 5/20 0.65
PDGFRB P09619 4/20 0.65
KDR P35968 4/20 0.65
ARAF P10398 2/20 0.65
RIPK2 O43353 2/20 0.65
ABCB11 O95342 2/20 0.65

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
SCHEMBL13945873 0.89 KDR (0.60) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL13603523 0.88 RAF1 (0.69) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL3546421 0.88 RAF1 (0.79) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL3411523 0.87 RET (0.82) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL13945882 0.87 RAF1 (0.59) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL13945880 0.86 RET (0.58) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL1506380 0.86 RET (1.00) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL13945940 0.85 RET (0.83) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL13547684 0.84 RAF1 (0.78) RETRAF1HDAC3HDAC4HDAC1
SCHEMBL3551019 0.84 RAF1 (0.78) RETRAF1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS DUMAS JACQUES 2010-03-25 US disclosed
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2004-11-18 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 (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-20100075971-A1 SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS CDK4, MKI67, TP53 RET 605/4885RAF1 761/4885HDAC3 1627/4885
US-20040229937-A1 Substituted pyridine derivatives useful in the treatment of cancer and other disorders CDK4, MKI67, TP53 RET 605/4885RAF1 761/4885HDAC3 1627/4885

“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.