SCHEMBL3606807

SCHEMBL3606807

CCc1nn(C(=O)OC(C)(C)C)c2cccc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.40
NR1H2 P55055 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
FAAH O00519 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SCN9A Q15858 2/20 0.32
GPR4 P46093 1/20 0.32
NR1H3 Q13133 1/20 0.32
GRM5 P41594 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL28298923 0.85 MAP2K4 (0.38) MAP2K4NR1H2L3MBTL1KDM4EALDH1A1
SCHEMBL3607147 0.82 MAP2K4 (0.41) MAP2K4NR1H2KDM4EALDH1A1SMARCA2
SCHEMBL27758497 0.81 ALDH1A1 (0.36) KDM4EALDH1A1ELANE
SCHEMBL13462468 0.81 MAP2K4 (0.41) MAP2K4NR1H2KDM4EALDH1A1SMARCA2
SCHEMBL3601914 0.81 MAP2K4 (0.35) MAP2K4NR1H2
SCHEMBL12181193 0.79 L3MBTL1 (0.45) MAP2K4L3MBTL1CHRM2CHRM4CHRM1
SCHEMBL3594679 0.79 ELANE (0.41) MAP2K4NR1H2KDM4EALDH1A1SMARCA2
SCHEMBL3615038 0.78 FAAH (0.35) FAAHGPR4HSP90AA1HSP90AB1HDAC1
SCHEMBL14271998 0.78 FAAH (0.33) MAP2K4FAAHGPR4HDAC1
SCHEMBL186237 0.76 MAP2K4 (0.41) MAP2K4NR1H2KDM4EALDH1A1SMARCA2

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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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 (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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAP2K4 72/4885NR1H2 1183/4885L3MBTL1 2066/4885

“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.