SCHEMBL3594679

SCHEMBL3594679

COC(=O)c1nn(C(=O)OC(C)(C)C)c2cccc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.41
PLAU P00749 6/20 0.41
F2 P00734 5/20 0.41
MAP2K4 P45985 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.34
NR1H2 P55055 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
CTRB1 P17538 3/20 0.33
KLKB1 P03952 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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 0.88 MAP2K4 (0.41) ELANEPLAUF2MAP2K4ALDH1A1
SCHEMBL3604564 0.82 ELANE (0.40) ELANEPLAUF2MAP2K4ALDH1A1
SCHEMBL3607147 0.81 MAP2K4 (0.41) MAP2K4ALDH1A1NR1H2SMARCA2SMARCA4
SCHEMBL3606807 0.79 MAP2K4 (0.40) ELANEMAP2K4ALDH1A1NR1H2SMARCA2
SCHEMBL3361945 0.77 MAP2K4 (0.36) MAP2K4ALDH1A1NR1H2GAASMARCA2
SCHEMBL186237 0.75 MAP2K4 (0.41) MAP2K4ALDH1A1NR1H2GAASMARCA2
SCHEMBL27244288 0.72 FAAH (0.35) ELANEPLAUF2ALDH1A1HSD17B10
SCHEMBL6235307 0.72 ELANE (0.41) ELANEPLAUF2MAP2K4
SCHEMBL3608498 0.71 TSHR (0.37) ELANEPLAUF2MAP2K4ALDH1A1
SCHEMBL24780971 0.71 ELANE (0.53) ELANEPLAUF2CTRB1KLKB1

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 ELANE 2028/4885PLAU 3019/4885F2 2144/4885

“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.