SCHEMBL16537115

SCHEMBL16537115

COc1ccc(Cn2nc(OC3CCN(C(=O)OC(C)(C)C)CC3)c3cc(-c4ccc(CC(=O)Nc5cc(C(C)(C)C(F)(F)F)on5)cc4)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 9/20 0.42
▸ WNT3A P56704 3/20 0.41
▸ FLT3 P36888 1/20 0.38
▸ CACNA1H O95180 4/20 0.38
▸ BRAF P15056 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16537142 0.94 KIT (0.43) KITWNT3AFLT3CACNA1HKDM4E
SCHEMBL16536796 0.87 KIT (0.49) KITWNT3AFLT3CACNA1HKDM4E
SCHEMBL16537004 0.85 KIT (0.48) KITWNT3AFLT3CACNA1HKDM4E
SCHEMBL16536174 0.84 KIT (0.48) KITWNT3AFLT3CACNA1HKDM4E
SCHEMBL16536795 0.80 KIT (0.62) KITFLT3CACNA1HKDM4E
SCHEMBL16540160 0.79 PDE4A (0.42) CACNA1H
SCHEMBL16536344 0.76 RET (0.49) KITWNT3ACACNA1HKDM4E
SCHEMBL16536754 0.72 KIT (0.59) KITFLT3
SCHEMBL16536972 0.70 KIT (0.65) KITFLT3BRAFKDM4E
Formic Acid SCHEMBL16536759 0.70 KIT (0.56) KITFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725465-B2 Biaryl acetamide compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-08 — — US disclosed
EP-3039021-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2016-07-06 — — EP disclosed
WO-2015031613-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-03-05 — — WO disclosed
US-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-03-05 — — 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 (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-20150065468-A1 BIARYL ACETAMIDE COMPOUNDS AND METHODS OF USE THEREOF ERBB2, ERBB3, AADAC KIT 1109/4885WNT3A 2952/4885FLT3 30/4885

“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.

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