SCHEMBL16537142

SCHEMBL16537142

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 10/20 0.43
▸ FLT3 P36888 3/20 0.39
▸ CACNA1H O95180 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CSF1R P07333 2/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ RET P07949 1/20 0.36
▸ PTPN11 Q06124 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
SCHEMBL16537115 0.94 KIT (0.42) KITFLT3CACNA1HKDM4EWNT3A
SCHEMBL16536796 0.88 KIT (0.49) KITFLT3CACNA1HKDM4EWNT3A
SCHEMBL16537004 0.86 KIT (0.48) KITFLT3CACNA1HKDM4EWNT3A
SCHEMBL16536174 0.85 KIT (0.48) KITFLT3CACNA1HKDM4EWNT3A
SCHEMBL16536795 0.81 KIT (0.62) KITFLT3CACNA1HKDM4ERET
SCHEMBL16536344 0.77 RET (0.49) KITCACNA1HKDM4ECSF1RWNT3A
SCHEMBL16535998 0.76 PDE1B (0.44) KDM4E
SCHEMBL16536754 0.73 KIT (0.59) KITFLT3CSF1RRET
SCHEMBL16540160 0.71 PDE4A (0.42) CACNA1H
SCHEMBL16536972 0.71 KIT (0.65) KITFLT3KDM4ERET

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 2 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
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 1109/4885FLT3 30/4885CACNA1H 4454/4885

“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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