SCHEMBL169157

SCHEMBL169157

NCCNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.69
HDAC3 O15379 6/20 0.69
HDAC4 P56524 6/20 0.69
HDAC1 Q13547 6/20 0.69
HDAC7 Q8WUI4 6/20 0.69
HDAC2 Q92769 6/20 0.69
HDAC10 Q969S8 6/20 0.69
HDAC11 Q96DB2 6/20 0.69
HDAC8 Q9BY41 6/20 0.69
HDAC6 Q9UBN7 6/20 0.69
HDAC9 Q9UKV0 6/20 0.69
HDAC5 Q9UQL6 6/20 0.69
GSK3B P49841 2/20 0.69
KDR P35968 5/20 0.66
PDGFRB P09619 4/20 0.65
BRAF P15056 4/20 0.65
ARAF P10398 2/20 0.65
RET P07949 3/20 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
SCHEMBL13603585 0.91 RAF1 (0.71) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13603514 0.91 RAF1 (0.71) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13603523 0.90 RAF1 (0.69) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13603517 0.89 RAF1 (0.70) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL171199 0.89 RAF1 (0.81) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13603512 0.88 RAF1 (0.68) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13603510 0.86 RAF1 (0.68) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL26923233 0.86 RAF1 (0.78) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3707691 0.85 RAF1 (0.83) RAF1HDAC3HDAC4HDAC1HDAC7
SCHEMBL104548 0.83 CA7 (0.63) RAF1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAF1 2/4885HDAC3 3570/4885HDAC4 2841/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885HDAC3 3570/4885HDAC4 2841/4885

“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.