SCHEMBL3607147

SCHEMBL3607147

CC(C)(C)OC(=O)n1nc(Cl)c2c(N)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
POLB P06746 1/20 0.38
NR1H2 P55055 1/20 0.36
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
PBRM1 Q86U86 2/20 0.35
FAAH O00519 1/20 0.35
SCN9A Q15858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
HDAC1 Q13547 4/20 0.33
STS P08842 1/20 0.33
SCN5A Q14524 1/20 0.32
PARP14 Q460N5 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 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
SCHEMBL13462468 0.83 MAP2K4 (0.41) MAP2K4HSP90AA1HSP90AB1NR1H2SMARCA2
SCHEMBL3606807 0.82 MAP2K4 (0.40) MAP2K4HSP90AA1HSP90AB1NR1H2SMARCA2
SCHEMBL3594679 0.81 ELANE (0.41) MAP2K4NR1H2SMARCA2SMARCA4PBRM1
SCHEMBL3600765 0.80 MAP2K4 (0.37) MAP2K4POLBALDH1A1
SCHEMBL3605649 0.79 HSP90AA1 (0.36) MAP2K4HSP90AA1HSP90AB1POLBNR1H2
SCHEMBL7016168 0.78 L3MBTL1 (0.44) MAP2K4POLBFAAHALDH1A1BCHE
SCHEMBL14272074 0.77 HSP90AA1 (0.34) MAP2K4HSP90AA1HSP90AB1POLBNR1H2
SCHEMBL5951579 0.76 MAP2K4 (0.39) MAP2K4HSP90AA1HSP90AB1POLBNR1H2
SCHEMBL31190600 0.76 MAP2K4 (0.39) MAP2K4HSP90AA1HSP90AB1POLBNR1H2
SCHEMBL186237 0.75 MAP2K4 (0.41) MAP2K4NR1H2SMARCA2SMARCA4PBRM1

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
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
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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 (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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAP2K4 72/4885HSP90AA1 528/4885HSP90AB1 447/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R MAP2K4 1979/4885HSP90AA1 2686/4885HSP90AB1 2103/4885

“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.