SCHEMBL4908759

SCHEMBL4908759

Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)c(C(F)(F)F)c2)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.66
▸ BRAF P15056 12/20 0.62
▸ EGFR P00533 10/20 0.59
▸ HTT P42858 2/20 0.57
▸ CLK1 P49759 1/20 0.56
▸ ABL1 P00519 1/20 0.56

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
SCHEMBL4910277 0.99 KIT (0.67) KITBRAFEGFRHTTCLK1
SCHEMBL4901580 0.96 KIT (0.64) KITBRAFEGFRHTTCLK1
SCHEMBL4906673 0.91 KIT (0.79) KITBRAFEGFRABL1
SCHEMBL4910210 0.90 KIT (0.64) KITBRAFEGFRHTTCLK1
SCHEMBL4903423 0.87 KIT (0.76) KITBRAFEGFRABL1
SCHEMBL4908467 0.87 KIT (0.61) KITBRAFEGFRHTTABL1
SCHEMBL23048203 0.83 KIT (0.76) KITBRAFEGFRABL1
SCHEMBL12871531 0.82 KIT (0.84) KITBRAFEGFRABL1
SCHEMBL4903601 0.81 HTT (0.56) KITBRAFEGFRHTTCLK1
SCHEMBL13660025 0.81 KIT (0.67) KITBRAFEGFRHTTCLK1

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
CN-101696188-A Trifluoromethyl substituted benzamides as kinase inhibitors NOVARTIS AG 2010-04-21 — — CN disclosed
US-20080096883-A1 Trifluoromethyl substituted benzamides as kinase inhibitors NOVARTIS AG (CH) 2008-04-24 — — US disclosed
US-20080096883-A1 Trifluoromethyl substituted benzamides as kinase inhibitors NOVARTIS AG (CH) 2008-04-24 — — US disclosed
US-20080096883-A1 Trifluoromethyl substituted benzamides as kinase inhibitors NOVARTIS AG (CH) 2008-04-24 — — US disclosed
CN-101039914-A Trifluoromethyl substituted benzamide compounds as kinase inhibitors NOVARTIS AG (CH) 2007-09-19 — — CN disclosed
EP-1778640-A1 TRIFLUOROMETHYL SUBSTITUTED BENZAMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-05-02 — — EP disclosed
WO-2006015859-A1 TRIFLUOROMETHYL SUBSTITUTED BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-02-16 — — WO disclosed
US-20060035897-A1 Trifluoromethyl substituted benzamides as kinase inhibitors NOVARTIS AG (CH) 2006-02-16 — — 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 (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-20080096883-A1 Trifluoromethyl substituted benzamides as kinase inhibitors MAP3K1, MAP3K20, MAP3K2 KIT 262/4885BRAF 6/4885EGFR 252/4885
US-20060035897-A1 Trifluoromethyl substituted benzamides as kinase inhibitors ABL1, ERBB2, EPHB2 KIT 276/4885BRAF 6/4885EGFR 8/4885

“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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